Quasiparticle calculations in solids

[1]  F. F. Martens Ueber die Dispersion ultravioletter Strahlen , 1901 .

[2]  L. H. Thomas The calculation of atomic fields , 1927, Mathematical Proceedings of the Cambridge Philosophical Society.

[3]  E. Fermi Eine statistische Methode zur Bestimmung einiger Eigenschaften des Atoms und ihre Anwendung auf die Theorie des periodischen Systems der Elemente , 1928 .

[4]  J. C. Ward An Identity in Quantum Electrodynamics , 1950 .

[5]  J. C. Slater A Simplification of the Hartree-Fock Method , 1951 .

[6]  R. T. Sharp,et al.  A Variational Approach to the Unipotential Many-Electron Problem , 1953 .

[7]  Hiroshi Watanabe Experimental Evidence for the Collective Nature of the Characteristic Energy Loss of Electrons in Solids —Studies on the Dispersion Relation of Plasma Frequency— , 1956 .

[8]  W. Kohn Interaction of Charged Particles in a Dielectric , 1958 .

[9]  D. Dubois,et al.  ELECTRON INTERACTIONS. PART I. FIELD THEORY OF A DEGENERATE ELECTRON GAS , 1959 .

[10]  H. Ehrenreich,et al.  Self-Consistent Field Approach to the Many-Electron Problem , 1959 .

[11]  D. Dubois Electron interactions: Part II. Properties of a dense electron gas , 1959 .

[12]  S. E. Williams,et al.  The soft X-ray spectra of lithium, magnesium and aluminium and their alloys , 1960 .

[13]  Leo P. Kadanoff,et al.  CONSERVATION LAWS AND CORRELATION FUNCTIONS , 1961 .

[14]  J. C. Phillips GENERALIZED KOOPMANS' THEOREM , 1961 .

[15]  G. Baym,et al.  Self-Consistent Approximations in Many-Body Systems , 1962 .

[16]  Stephen L. Adler,et al.  Quantum theory of the dielectric constant in real solids. , 1962 .

[17]  D. R. Penn,et al.  Wave-Number-Dependent Dielectric Function of Semiconductors , 1962 .

[18]  M. H. Kalos,et al.  Monte Carlo Calculations of the Ground State of Three- and Four-Body Nuclei , 1962 .

[19]  H. Ehrenreich,et al.  Optical Properties of Semiconductors , 1963 .

[20]  R. A. Silverman,et al.  Methods of Quantum Field Theory in Statistical Physics , 1964 .

[21]  Nathan Wiser,et al.  Dielectric Constant with Local Field Effects Included , 1963 .

[22]  D. E. Gray,et al.  American Institute of Physics Handbook , 1957 .

[23]  P. Hohenberg,et al.  Inhomogeneous Electron Gas , 1964 .

[24]  L. Hedin NEW METHOD FOR CALCULATING THE ONE-PARTICLE GREEN'S FUNCTION WITH APPLICATION TO THE ELECTRON-GAS PROBLEM , 1965 .

[25]  T. M. Rice THE EFFECTS OF ELECTRON-ELECTRON INTERACTION ON THE PROPERTIES OF METALS , 1965 .

[26]  N. Mermin Thermal Properties of the Inhomogeneous Electron Gas , 1965 .

[27]  W. Kohn,et al.  Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .

[28]  W. L. Mcmillan Ground State of Liquid He 4 , 1965 .

[29]  G. Wolff,et al.  Ultraviolet Reflection Spectrum of Cubic CdS , 1965 .

[30]  Marvin L. Cohen,et al.  Band Structures and Pseudopotential Form Factors for Fourteen Semiconductors of the Diamond and Zinc-blende Structures , 1966 .

[31]  W. Brinkman,et al.  Crystal Potential and Correlation for Energy Bands in Valence Semiconductors , 1966 .

[32]  Lu J. Sham,et al.  ONE-PARTICLE PROPERTIES OF AN INHOMOGENEOUS INTERACTING ELECTRON GAS. , 1966 .

[33]  A. Jacobson,et al.  Covalency Parameters in MnO, α‐MnS, and NiO , 1968 .

[34]  C. Festenberg Retardierungseffekte im Energieverlustspektrum von GaP , 1968 .

[35]  Th. Förster,et al.  Landolt-Börnstein, Zahlenwerte und Funktionen aus Naturwissenschaften und Technik , 1969 .

[36]  J. L. Fry Dielectric Function of a Model Insulator , 1969 .

[37]  R. Bechmann,et al.  Numerical data and functional relationships in science and technology , 1969 .

[38]  L. Hedin,et al.  Beyond the One-Electron Approximation: Density of States for Interacting Electrons. , 1970, Journal of Research of the National Bureau of Standards Section A Physics and Chemistry.

[39]  N. O. Lipari,et al.  Effect of Electronic Correlation on the Energy Bands of Insulating Crystals. Application to Argon , 1970 .

[40]  D. Langreth Singularities in the X-Ray Spectra of Metals , 1970 .

[41]  Walter Kohn,et al.  Theory of Metal Surfaces: Charge Density and Surface Energy , 1970 .

[42]  G. Baldini,et al.  Optical Properties of Na and Li Halide Crystals at 55 °K , 1970 .

[43]  John P. Walter,et al.  Wave-Vector-Dependent Dielectric Function for Si, Ge, GaAs, and ZnSe , 1970 .

[44]  N. O. Lipari Dielectric Function for Insulating Crystals , 1970 .

[45]  H. Ehrenreich,et al.  Optical Properties of Metals: Many-Electron Effects , 1970 .

[46]  N. O. Lipari,et al.  Correlation effects in the energy bands of insulating crystals , 1970 .

[47]  Lars Hedin,et al.  Explicit local exchange-correlation potentials , 1971 .

[48]  M. DiDomenico,et al.  Behavior of the Electronic Dielectric Constant in Covalent and Ionic Materials , 1971 .

[49]  B. Monemar Optical Dispersion and Ionicity of AlP and AlAs , 1971 .

[50]  N. O. Lipari,et al.  Electronic Structure of NaBr , 1971 .

[51]  A. Overhauser Simplified Theory of Electron Correlations in Metals , 1971 .

[52]  A. Kunz,et al.  Energy Bands and Optical Properties of NaCl , 1971 .

[53]  G. Day Linear and Nonlinear Optical Properties of Trigonal Selenium , 1971 .

[54]  A. Fetter,et al.  Quantum Theory of Many-Particle Systems , 1971 .

[55]  Marvin L. Cohen,et al.  Frequency- and Wave-Vector-Dependent Dielectric Function for Silicon , 1972 .

[56]  Priya Vashishta,et al.  Electron Correlations at Metallic Densities. V , 1972 .

[57]  N. H. March,et al.  Plasmons propagating in periodic lattices and their dispersion , 1972, Proceedings of the Royal Society of London. A. Mathematical and Physical Sciences.

[58]  R. Braunstein,et al.  Interband Transitions and Exciton Effects in Semiconductors , 1972 .

[59]  J. Hermanson Simple Model of Electronic Correlation in Insulators , 1972 .

[60]  A. Kunz Electronic Polarons in Nonmetals , 1972 .

[61]  Comparison of Screened Exchange with the Slater Approximation for Silicon , 1972 .

[62]  W. D. Grobman,et al.  Photoemission Valence-Band Densities of States for Si, Ge, and GaAs Using Synchrotron Radiation , 1972 .

[63]  D. A. Shirley,et al.  X-Ray Photoemission Spectra of Crystalline and Amorphous Si and Ge Valence Bands , 1972 .

[64]  C. Bethea,et al.  Nonlinear Susceptibility of GaP; Relative Measurement and Use of Measured Values to Determine a Better Absolute Value , 1972 .

[65]  A. A. Studna,et al.  Direct observation of the E0 and E0 + Δ0 transitions in silicon , 1972 .

[66]  L. Hedin,et al.  A local exchange-correlation potential for the spin polarized case. i , 1972 .

[67]  Marc Ilegems,et al.  Infrared Lattice Vibrations and Free-Electron Dispersion in GaN , 1973 .

[68]  J. Linderberg,et al.  Molecular applications of a method of screened exchange , 1973 .

[69]  B. Levine d-Electron Effects on Bond Susceptibilities and Ionicities , 1973 .

[70]  W. Kohn,et al.  Theory of Metal Surfaces: Induced Surface Charge and Image Potential. , 1973 .

[71]  Vertex correction calculations for an electron gas , 1974 .

[72]  D. L. Johnson,et al.  Local field effects and the dielectric response matrix of insulators: A model , 1974 .

[73]  L. Hedin,et al.  Correlated crystal potentials in band structure calculations , 1974 .

[74]  D. A. Shirley,et al.  Total valence-band densities of states of III-V and II-VI compounds from x-ray photoemission spectroscopy. [GaSb; InSb] , 1974 .

[75]  W. Hanke,et al.  Dielectric Response in the Wannier Representation: Application to the Optical Spectrum of Diamond , 1974 .

[76]  James R. Chelikowsky,et al.  ELECTRONIC STRUCTURE OF SILICON , 1974 .

[77]  R O Jones,et al.  The surface energy of a bounded electron gas , 1974 .

[78]  N. Brener Correlated Hartree-Fock energy bands for diamond , 1975 .

[79]  Ting-Kuo Lee,et al.  Effective Mass and g Factor of Interacting Electrons in the Surface Inversion Layer of Silicon , 1975 .

[80]  O. K. Andersen,et al.  Linear methods in band theory , 1975 .

[81]  Aspects on diagrammatic expansion for models related to a homogeneous electron gas , 1975 .

[82]  H. Stolz Einführung in die Vielelektronentheorie der Kristalle , 1974 .

[83]  C. Hodges Harris and Jones image-potential formalism for a quantum particle. Application to surface states , 1975 .

[84]  U. V. Barth,et al.  Correlated potentials for simple metals: aluminium , 1975 .

[85]  M. Cardona,et al.  Dependence of the indirect energy gap of silicon on hydrostatic pressure , 1975 .

[86]  Screened-exchange plus Coulomb-hole correlated Hartree-Fock energy bands for LiF , 1975 .

[87]  Lu J. Sham,et al.  Local-field and excitonic effects in the optical spectrum of a covalent crystal , 1975 .

[88]  D. Aspnes Schottky-barrier electroreflectance of Ge: Nondegenerate and orbitally degenerate critical points , 1975 .

[89]  J. D. Talman,et al.  Optimized effective atomic central potential , 1976 .

[90]  B. Lundqvist,et al.  Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism , 1976 .

[91]  N. Nilsson,et al.  Investigation of the second indirect transition of silicon by means of photoconductivity measurements , 1976 .

[92]  J. W. Gadzuk Screening Energies in Photoelectron Spectroscopy of Localized Electron Levels | NIST , 1976 .

[93]  H. Monkhorst,et al.  SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS , 1976 .

[94]  R. Mattuck,et al.  A guide to Feynman diagrams in the many-body problem , 1976 .

[95]  J. Rundgren,et al.  Surface-Resonance Fine Structure in Low-Energy Electron Diffraction , 1977 .

[96]  D. Ceperley,et al.  Monte Carlo simulation of a many-fermion study , 1977 .

[97]  A. Huijser,et al.  Electronic surface properties of Ga and In containing III–V compounds , 1977 .

[98]  P. Fulde,et al.  Description of intraatomic correlations by the Local Approach , 1978 .

[99]  J. Janak,et al.  Proof that ? E /? n i =e in density-functional theory , 1978 .

[100]  H. Raether,et al.  Dispersion of the Volume Plasmon of Silicon (16.7 eV) at Large Wave Vectors , 1978 .

[101]  S. Orszag,et al.  Advanced Mathematical Methods For Scientists And Engineers , 1979 .

[102]  L. Wöste,et al.  Preparation and photoionization potentials of molecules of sodium, potassium, and mixed atoms , 1978 .

[103]  Alfonso Baldereschi,et al.  Mean-value point and dielectric properties of semiconductors and insulators , 1978 .

[104]  Polarization energy for core states of alkali halides , 1979 .

[105]  A K Theophilou,et al.  The energy density functional formalism for excited states , 1979 .

[106]  P. Grosse,et al.  The Physics of Selenium and Tellurium , 1979 .

[107]  M. Ozaki,et al.  Electronic structure of polyacetylene: Optical and infrared studies of undoped semiconducting (CH) x and heavily doped metallic (CH) x , 1979 .

[108]  M. Levy Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem. , 1979, Proceedings of the National Academy of Sciences of the United States of America.

[109]  D. Hamann,et al.  Norm-Conserving Pseudopotentials , 1979 .

[110]  G. Kerker,et al.  Non-singular atomic pseudopotentials for solid state applications , 1980 .

[111]  L. Hedin Effects of Recoil on Shake-Up Spectra in Metals , 1980 .

[112]  Wavevector dependence of the volume plasmon of GaAs and InSb , 1980 .

[113]  B. Alder,et al.  THE GROUND STATE OF THE ELECTRON GAS BY A STOCHASTIC METHOD , 2010 .

[114]  A. Zangwill,et al.  Resonant Photoemission in Barium and Cerium , 1980 .

[115]  H. Li Refractive index of silicon and germanium and its wavelength and temperature derivatives , 1980 .

[116]  S. Louie New localized-orbital method for calculating the electronic structure of molecules and solids: Covalent semiconductors , 1980 .

[117]  John P. Perdew,et al.  Theory of nonuniform electronic systems. I. Analysis of the gradient approximation and a generalization that works , 1980 .

[118]  S. H. Vosko,et al.  Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis , 1980 .

[119]  M. Ozaki,et al.  Momentum Dependence of Electronic Excitations in Polyacetylene , 1980 .

[120]  Hans Jurgen Mattausch,et al.  DYNAMICAL CORRELATION EFFECTS ON THE QUASIPARTICLE BLOCH STATES OF A COVALENT CRYSTAL , 1980 .

[121]  D. Tang Heavy doping effects in p-n-p bipolar transistors , 1980, IEEE Transactions on Electron Devices.

[122]  Werner Hanke,et al.  Many-particle effects in the optical spectrum of a semiconductor , 1980 .

[123]  A. Zunger,et al.  Self-interaction correction to density-functional approximations for many-electron systems , 1981 .

[124]  A. Liebsch Ni d-band self-energy beyond the low-density limit , 1981 .

[125]  G. Mahan Many-particle physics , 1981 .

[126]  Bound excited states in density-functional theory , 1981 .

[127]  G. Wendin Breakdown of the One-Electron Pictures in Photoelectron Spectra , 1981 .

[128]  C. S. Wang,et al.  First-principles electronic structure of Si, Ge, GaP, GaAs, ZnS, and ZnSe. I. Self-consistent energy bands, charge densities, and effective masses , 1981 .

[129]  R. Humphreys,et al.  Wavelength modulated absorption in SiC , 1981 .

[130]  E. Fiorino,et al.  Local-field effects on the optical properties of non-cubic crystals , 1981 .

[131]  P. Schmid,et al.  Optical absorption in heavily doped silicon , 1981 .

[132]  F. Himpsel,et al.  Surface states on Si(111)-(2×1) , 1981 .

[133]  Frank Szmulowicz,et al.  Self-consistent non-muffin-tin augmented-plane-wave calculation of the band structure of silicon , 1981 .

[134]  S. Louie,et al.  New model dielectric function and exchange-correlation potential for semiconductors and insulators , 1982 .

[135]  S. Pepper Diamond (111) studied by electron energy loss spectroscopy in the characteristic loss region , 1982 .

[136]  Steven G. Louie,et al.  Nonlinear ionic pseudopotentials in spin-density-functional calculations , 1982 .

[137]  H. Feshbach,et al.  Physics as Natural Philosophy , 1982 .

[138]  D. Moses,et al.  Pressure dependence of the photoabsorption of polyacetylene , 1982 .

[139]  F. Sacchetti Electron-electron interaction and single-particle properties in copper , 1982 .

[140]  Mel Levy,et al.  Electron densities in search of Hamiltonians , 1982 .

[141]  J. Perdew,et al.  Density-Functional Theory for Fractional Particle Number: Derivative Discontinuities of the Energy , 1982 .

[142]  W. Hanke,et al.  Dynamical aspects of correlation corrections in a covalent crystal , 1982 .

[143]  D. R. Hamann,et al.  Pseudopotentials that work: From H to Pu , 1982 .

[144]  W. Hanke,et al.  Many-body effects in the absorption spectrum of a heteropolar crystal , 1983 .

[145]  C. S. Wang,et al.  Density-functional theory of excitation spectra of semiconductors; application to Si , 1983 .

[146]  Impurities in covalent crystals: Exchange-correlation and local-field effects , 1983 .

[147]  John P. Perdew,et al.  Physical Content of the Exact Kohn-Sham Orbital Energies: Band Gaps and Derivative Discontinuities , 1983 .

[148]  N. Stoffel Experimental band structure of cadmium sulfide , 1983 .

[149]  M. Schlüter,et al.  Density-Functional Theory of the Energy Gap , 1983 .

[150]  Elliott H. Lieb,et al.  Density Functionals for Coulomb Systems , 1983 .

[151]  Electronic excitations in semiconductors. General theory , 1983 .

[152]  A. Cheetham,et al.  Magnetic ordering and exchange effects in the antiferromagnetic solid solutionsMnxNi1−xO , 1983 .

[153]  M. Schreiber,et al.  Self-energy contributions to the band structure of alkali metals: application to potassium , 1983 .

[154]  S. Froyen,et al.  Electronic band structures for zinc-blende and wurtzite CdS , 1983 .

[155]  N. H. March,et al.  Theory of the inhomogeneous electron gas , 1983 .

[156]  A. A. Studna,et al.  Dielectric functions and optical parameters of Si, Ge, GaP, GaAs, GaSb, InP, InAs, and InSb from 1.5 to 6.0 eV , 1983 .

[157]  H. Levinson,et al.  Experimental band structure of aluminum , 1983 .

[158]  J. Wilkins,et al.  L -Edge Absorption Spectra of the Rare Earths: Assessment of the Single-Particle Picture , 1983 .

[159]  D. Vanderbilt,et al.  Total energy minimization for diamond (111) surfaces: Support for an undimerized π -bonded chain reconstruction , 1984 .

[160]  W. Meyer,et al.  Ground‐state properties of alkali dimers and their cations (including the elements Li, Na, and K) from ab initio calculations with effective core polarization potentials , 1984 .

[161]  Many-body effects on the electron states of solid argon , 1984 .

[162]  J. C. Inkson Many-body theory of solids , 1984 .

[163]  S. Horsch,et al.  Electronic excitations in semiconductors. II. Application of the theory to diamond , 1984 .

[164]  P. Sterne,et al.  Exchange-correlation potential in semiconductors and insulators , 1984 .

[165]  G. Lehmann,et al.  π-Plasmon Dispersion of Trans-(CH)x at Small Momentum Transfer by Electron Energy Loss Spectroscopy , 1984 .

[166]  H. Yasuhara,et al.  A study of the self-energy of quasiparticles in an electron liquid , 1984 .

[167]  A. Fujimori,et al.  Valence-band photoemission and optical absorption in nickel compounds , 1984 .

[168]  W. Meyer,et al.  Treatment of intershell correlation effects in ab initio calculations by use of core polarization potentials. Method and application to alkali and alkaline earth atoms , 1984 .

[169]  W. Pickett,et al.  Local-density approximation for dynamical correlation corrections to single-particle excitations in insulators , 1984 .

[170]  E. Gross,et al.  Density-Functional Theory for Time-Dependent Systems , 1984 .

[171]  S. Hüfner,et al.  Photoemission and inverse photoemission spectroscopy of NiO , 1984 .

[172]  Fernando Flores,et al.  Electron-metal-surface interaction potential with vacuum tunneling: Observation of the image force , 1984 .

[173]  Christensen,et al.  Relativistic and core-relaxation effects on the energy bands of gallium arsenide and germanium. , 1985, Physical review. B, Condensed matter.

[174]  Rigorous formulation of Slater's transition-state theory for excited states. , 1985, Physical review. A, General physics.

[175]  Speier,et al.  Studies of total density of states of metals up to 70 eV above EF. , 1985, Physical review. B, Condensed matter.

[176]  Barrera,et al.  Electromagnetic response of systems with spatial fluctuations. I. General formalism. , 1985, Physical review. B, Condensed matter.

[177]  Baroni,et al.  Quasiparticle band structure of lithium hydride. , 1985, Physical review. B, Condensed matter.

[178]  Ley,et al.  Conduction-band and surface-state critical points in SI: An inverse-photoemission study. , 1985, Physical review letters.

[179]  Effect of the electron-electron interaction on the band structure of semiconductors , 1985 .

[180]  R. Dreizler,et al.  Density Functional Methods In Physics , 1985 .

[181]  Jensen,et al.  Experimental band structure of Na. , 1985, Physical review letters.

[182]  Northrup,et al.  Arsenic-terminated Ge(111): An ideal 1 x 1 surface. , 1985, Physical review letters.

[183]  C. H. Johnson,et al.  Pair displacement correlations and ordering in harmonic and non-harmonic chains , 1985 .

[184]  Kohn,et al.  Local density-functional theory of frequency-dependent linear response. , 1985, Physical review letters.

[185]  Wagner Band-gap narrowing in heavily doped silicon at 20 and 300 K studied by photoluminescence. , 1985, Physical review. B, Condensed matter.

[186]  Perdew,et al.  Extrema of the density functional for the energy: Excited states from the ground-state theory. , 1985, Physical review. B, Condensed matter.

[187]  Louie,et al.  First-principles theory of quasiparticles: Calculation of band gaps in semiconductors and insulators. , 1985, Physical review letters.

[188]  N. Garcia,et al.  Tunneling spectroscopy and inverse photoemission: Image and field states , 1985 .

[189]  Shapiro,et al.  Angle-resolved photoemission studies of Ge(111)-c(2 x 8), Ge(111)-(1 x 1)H, Si(111)-(7 x 7), and Si(100)-(2 x 1). , 1985, Physical review. B, Condensed matter.

[190]  Sham Exchange and correlation in density-functional theory. , 1985, Physical review. B, Condensed matter.

[191]  Baldereschi,et al.  Self-consistent Hartree-Fock and screened-exchange calculations in solids: Application to silicon. , 1986, Physical review. B, Condensed matter.

[192]  Fink,et al.  Momentum-dependent dielectric functions of oriented trans-polyacetylene. , 1986, Physical review. B, Condensed matter.

[193]  Temperature measurement of sputtered metal dimers. , 1986, Physical review. B, Condensed matter.

[194]  R. Bringans,et al.  Surface band dispersion of Ge(111)c(2×8) and Ge(111):As 1×1 , 1986 .

[195]  J. Perdew,et al.  Density-functional approximation for the correlation energy of the inhomogeneous electron gas. , 1986, Physical review. B, Condensed matter.

[196]  C. S. Wang,et al.  A local density theory for dynamical correlation corrections to single particle excitations in semiconductors , 1986 .

[197]  Ley,et al.  Inverse-photoemission study of unoccupied electronic states in Ge and Si: Bulk energy bands. , 1986, Physical review. B, Condensed matter.

[198]  Surface barrier in W(110). I. Self-consistent film calculations. , 1986, Physical review. B, Condensed matter.

[199]  Fritsche Generalized Kohn-Sham theory for electronic excitations in realistic systems. , 1986, Physical review. B, Condensed matter.

[200]  Louie,et al.  Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies. , 1986, Physical review. B, Condensed matter.

[201]  Bjarne Stroustrup,et al.  C++ Programming Language , 1986, IEEE Softw..

[202]  M. Kappes,et al.  On the manifestation of electronic structure effects in metal clusters , 1986 .

[203]  Godby,et al.  Accurate exchange-correlation potential for silicon and its discontinuity on addition of an electron. , 1986, Physical review letters.

[204]  Surface barrier in W(110). II. Low-energy electron diffraction fine-structure analysis. , 1986, Physical review. B, Condensed matter.

[205]  Calculated photoemission spectra of Na. , 1986, Physical review letters.

[206]  R. Bringans,et al.  Surface and bulk electronic structure of Ge(111) c (2×8) and Ge(111):As 1×1 , 1986 .

[207]  Svane Hartree-Fock band-structure calculations with the linear muffin-tin-orbital method: Application to C, Si, Ge, and alpha -Sn. , 1987, Physical review. B, Condensed matter.

[208]  W. Linden,et al.  On the self-energy of electrons in metals , 1987 .

[209]  E. Plummer Photoemission from Nearly Free Electron Metals , 1987 .

[210]  Godby,et al.  Trends in self-energy operators and their corresponding exchange-correlation potentials. , 1987, Physical review. B, Condensed matter.

[211]  Fulde,et al.  Exchange and correlation effects on the quasiparticle band structure of semiconductors. , 1987, Physical review. B, Condensed matter.

[212]  Louie,et al.  Many-body calculation of surface states: As on Ge(111). , 1987, Physical review letters.

[213]  Giorgio Margaritondo,et al.  Heterojunction Band Discontinuities: Physics and Device Applications , 1987 .

[214]  D. Paquet,et al.  A quasiparticle calculation of the dispersion curves of gallium arsenide based on a full Hartree–Fock approximation , 1987 .

[215]  Self-energy corrections in photoemission of Na. , 1987, Physical review. B, Condensed matter.

[216]  M. Chou,et al.  Electronic Shell Structure and Metal Clusters , 1987 .

[217]  Louie,et al.  Ab initio static dielectric matrices from the density-functional approach. I. Formulation and application to semiconductors and insulators. , 1987, Physical review. B, Condensed matter.

[218]  Northrup,et al.  Theory of quasiparticle energies in alkali metals. , 1987, Physical review letters.

[219]  Theory of optical transitions in Si/Ge(001) strained-layer superlattices. , 1987 .

[220]  G. Döhler,et al.  Quantum Well and Superlattice Physics , 1987 .

[221]  Godby,et al.  Quasiparticle energies in GaAs and AlAs. , 1987, Physical review. B, Condensed matter.

[222]  Louie,et al.  Theory of quasiparticle surface states in semiconductor surfaces. , 1988, Physical review. B, Condensed matter.

[223]  Density-functional theory in insulators: Analytical model for Sigma xc, vxc, and the gap correction. , 1988, Physical review. B, Condensed matter.

[224]  Oliveira,et al.  Rayleigh-Ritz variational principle for ensembles of fractionally occupied states. , 1988, Physical review. A, General physics.

[225]  W. Linden,et al.  Precise quasiparticle energies and Hartree-Fock bands of semiconductors and insulators. , 1988, Physical review. B, Condensed matter.

[226]  Plummer,et al.  Quasiparticle band structure of Na and simple metals. , 1988, Physical review letters.

[227]  W. Linden,et al.  Accurate Selfenergy-Corrections to Local-Density Bands of Semiconductors and Insulators , 1988 .

[228]  Joel N. Schulman,et al.  Wave Mechanics Applied to Semiconductor Heterostructures , 1991 .

[229]  Mahan,et al.  Photoemission spectra and band structures of simple metals. , 1988, Physical review. B, Condensed matter.

[230]  Wei,et al.  Role of metal d states in II-VI semiconductors. , 1988, Physical review. B, Condensed matter.

[231]  M. Schlüter,et al.  Self-energy operators and exchange-correlation potentials in semiconductors. , 1988, Physical review. B, Condensed matter.

[232]  Freeman,et al.  Structural and electronic properties of bulk GaAs, bulk AlAs, and the (GaAs)1(AlAs)1 superlattice. , 1988, Physical review. B, Condensed matter.

[233]  S. Louie,et al.  Quasiparticle calculation of valence band offset of AlAs-GaAs(001) , 1988 .

[234]  Louie,et al.  Model dielectric matrices for quasiparticle self-energy calculations. , 1988, Physical review. B, Condensed matter.

[235]  Oliveira,et al.  Density-functional theory for ensembles of fractionally occupied states. I. Basic formalism. , 1988, Physical review. A, General physics.

[236]  Becker,et al.  Geometric and local electronic structure of Si(111)-As. , 1988, Physical review letters.

[237]  Dynamical correlation corrections to band-edge discontinuities in Si/GaP superlattices. , 1988 .

[238]  People,et al.  Origin of the optical transitions in ordered Si/Ge(001) superlattices. , 1988, Physical review. B, Condensed matter.

[239]  Occupied quasiparticle bandwidth of potassium. , 1988, Physical review. B, Condensed matter.

[240]  J. Chelikowsky,et al.  Electronic Structure and Optical Properties of Semiconductors , 1989 .

[241]  H. W. Sarkas,et al.  Photoelectron spectra of the alkali metal cluster anions: Na−n=2–5, K−n=2–7, Rb−n=2–3, and Cs−n=2–3 , 1989 .

[242]  Wei,et al.  Band gaps and spin-orbit splitting of ordered and disordered AlxGa1-xAs and GaAsxSb1-x alloys. , 1989, Physical review. B, Condensed matter.

[243]  R. Needs,et al.  Metal-insulator transition in Kohn-Sham theory and quasiparticle theory. , 1989, Physical review letters.

[244]  Zhu,et al.  Ab initio calculation of pressure coefficients of band gaps of silicon: Comparison of the local-density approximation and quasiparticle results. , 1989, Physical review. B, Condensed matter.

[245]  Mahan,et al.  Electron-electron interactions and the bandwidth of metals. , 1989, Physical review letters.

[246]  Zhang,et al.  Quasiparticle band gaps for ultrathin GaAs/AlAs(001) superlattices. , 1989, Physical review letters.

[247]  R. O. Jones,et al.  The density functional formalism, its applications and prospects , 1989 .

[248]  Zhang,et al.  Evaluation of quasiparticle energies for semiconductors without inversion symmetry. , 1989, Physical review. B, Condensed matter.

[249]  Quasiparticle energies in small metal clusters. , 1989, Physical review. B, Condensed matter.

[250]  Northrup,et al.  Quasiparticle excitation spectrum for nearly-free-electron metals. , 1989, Physical review. B, Condensed matter.

[251]  Zhang,et al.  Quasiparticle intepretation of photoemission spectra and optical properties of GaAs(110). , 1989, Physical review letters.

[252]  X. Gonze,et al.  Density-functional approach to nonlinear-response coefficients of solids. , 1989, Physical review. B, Condensed matter.

[253]  Hartree-Fock and lowest-order vertex-correction contribution to the direct gap of the semiconductor silicon. , 1989, Physical review. B, Condensed matter.

[254]  Rich,et al.  Sb-induced bulk band transitions in Si(111) and Si(001) observed in synchrotron photoemission studies. , 1989, Physical review. B, Condensed matter.

[255]  Ross,et al.  Evidence for the insulator-metal transition in xenon from optical, x-ray, and band-structure studies to 170 GPa. , 1989, Physical review letters.

[256]  Baldereschi,et al.  Quasiparticle energies in semiconductors: Self-energy correction to the local-density approximation. , 1989, Physical review letters.

[257]  Fischer,et al.  Antiferromagnetism in (Ca0.85Sr0.15)CuO2, the parent of the cuprate family of superconducting compounds. , 1989, Physical review. B, Condensed matter.

[258]  R. Parr Density-functional theory of atoms and molecules , 1989 .

[259]  Warren E. Pickett,et al.  Pseudopotential methods in condensed matter applications , 1989 .

[260]  Electronic structure of undoped and doped highly-oriented polyacetylene by electron energy-loss spectroscopy , 1989 .

[261]  Robert F. Davis,et al.  Growth of cubic phase gallium nitride by modified molecular‐beam epitaxy , 1989 .

[262]  Moss,et al.  Optical evidence for the metallization of xenon at 132(5) GPa. , 1989, Physical review letters.

[263]  Weaver,et al.  Valence- and conduction-band densities of states for tetrahedral semiconductors: Theory and experiment. , 1989, Physical review. B, Condensed matter.

[264]  P. Lugli,et al.  Spectroscopy of semiconductor microstructures , 1989 .

[265]  J. Martins,et al.  A straightforward method for generating soft transferable pseudopotentials , 1990 .

[266]  Lines. Bond-orbital theory of linear and nonlinear electronic response in ionic crystals. II. Nonlinear response. , 1990, Physical review. B, Condensed matter.

[267]  Uchida,et al.  Cu-O network dependence of optical charge-transfer gaps and spin-pair excitations in single-CuO2-layer compounds. , 1990, Physical review. B, Condensed matter.

[268]  Quasiparticle energies in small alkali-metal clusters , 1990 .

[269]  Bjarne Stroustrup,et al.  The Annotated C++ Reference Manual , 1990 .

[270]  Taylor,et al.  Pressure-induced metallization and the collapse of the magnetic state in the antiferromagnetic insulator NiI2. , 1990, Physical review letters.

[271]  Freeman,et al.  Self-energy correction for the energy bands of silicon by the full-potential linearized augmented-plane-wave method: Effect of the valence-band polarization. , 1990, Physical review. B, Condensed matter.

[272]  L. Kleinman,et al.  Good semiconductor band gaps with a modified local-density approximation. , 1990, Physical review. B, Condensed matter.

[273]  Calculations of the structural properties of cubic zinc sulfide. , 1990 .

[274]  S. Trickey Density functional theory of many-fermion systems , 1990 .

[275]  Zhang,et al.  Quasiparticle band offset at the (001) interface and band gaps in ultrathin superlattices of GaAs-AlAs heterojunctions. , 1990, Physical review. B, Condensed matter.

[276]  O. Gunnarsson,et al.  Transition-metal oxides in the self-interaction-corrected density-functional formalism. , 1990, Physical review letters.

[277]  N. H. March,et al.  Metalinsulator transition induced by pressure in chemically bonded solids , 1990 .

[278]  Levine One-electron formalism for second-harmonic generation in crystalline semiconductors. , 1990, Physical review. B, Condensed matter.

[279]  P. Krüger,et al.  Surface electronic structure of Ge(001)2 × 1: experiment and theory , 1990 .

[280]  L. Fritsche Excitations in a generalized density functional theory , 1991 .

[281]  L. Hedin Properties of electron self-energies and their role in electron spectroscopies , 1991 .

[282]  V. Anisimov,et al.  Band theory and Mott insulators: Hubbard U instead of Stoner I. , 1991, Physical review. B, Condensed matter.

[283]  Shirley,et al.  Single-body methods in 3d transition-metal atoms. , 1991, Physical review. B, Condensed matter.

[284]  Theodore D. Moustakas,et al.  Epitaxial growth of zinc blende and wurtzitic gallium nitride thin films on (001) silicon , 1991 .

[285]  GW-approximation energies and Hartree-Fock bands of semiconductors. , 1991, Physical review. B, Condensed matter.

[286]  Zhu,et al.  Quasiparticle surface band structure and photoelectric threshold of Ge(111)-2 x 1. , 1991, Physical review. B, Condensed matter.

[287]  Kuiper,et al.  Electronic structure of CoO, Li-doped CoO, and LiCoO2. , 1991, Physical review. B, Condensed matter.

[288]  Cohen,et al.  Quasiparticle energies for cubic BN, BP, and BAs. , 1991, Physical review. B, Condensed matter.

[289]  Y. Vohra,et al.  The closing diamond anvil optical window in multimegabar research , 1991 .

[290]  Kelly,et al.  Temperature-dependent angle-resolved photoemission study of the linewidth of surface states of III-V semiconductors. , 1991, Physical review. B, Condensed matter.

[291]  Allan,et al.  Optical second-harmonic generation in III-V semiconductors: Detailed formulation and computational results. , 1991, Physical review. B, Condensed matter.

[292]  Papadopoulos,et al.  Optical properties of diamond. , 1991, Physical review. B, Condensed matter.

[293]  Lowest-order vertex corrections to the energy gap in covalent semiconductors. , 1991, Physical review. B, Condensed matter.

[294]  Chemical shift and zone-folding effects on the energy gaps of GaAs-AlAs (001) superlattices. , 1991, Physical review. B, Condensed matter.

[295]  Allan,et al.  Calculation of the nonlinear susceptibility for optical second-harmonic generation in III-V semiconductors. , 1991, Physical review letters.

[296]  Zhu,et al.  Quasiparticle band structure of thirteen semiconductors and insulators. , 1991, Physical review. B, Condensed matter.

[297]  Allan,et al.  Quasiparticle calculation of the dielectric response of silicon and germanium. , 1991, Physical review. B, Condensed matter.

[298]  S. Louie,et al.  Metal-Insulator Transition in Solid Xenon at High Pressures , 1991 .

[299]  Louie,et al.  Metallization of solid hydrogen at megabar pressures: A first-principles quasiparticle study. , 1991, Physical review letters.

[300]  Northrup,et al.  Many-body calculation of the surface-state energies for Si(111)2 x 1. , 1991, Physical review letters.

[301]  Martins,et al.  Efficient pseudopotentials for plane-wave calculations. II. Operators for fast iterative diagonalization. , 1991, Physical review. B, Condensed matter.

[302]  M. Paisley,et al.  Luminescence and lattice parameter of cubic gallium nitride , 1992 .

[303]  George A. Sawatzky,et al.  Band gap, excitons, and Coulomb interaction in solid C60. , 1992 .

[304]  D. A. Roberts,et al.  Simplified characterization of uniaxial and biaxial nonlinear optical crystals: a plea for standardization of nomenclature and conventions , 1992 .

[305]  Electron-electron interactions; Ward identities , 1992 .

[306]  Donath,et al.  Spin-split image-potential-induced surface state on Ni(111). , 1992, Physical review letters.

[307]  Hanke,et al.  First-principles evaluation of the surface barrier for a Kohn-Sham electron at a metal surface. , 1992, Physical review letters.

[308]  L. Kipp,et al.  The surface band gaps of Ge(001)2×1 , 1992 .

[309]  Optical activity of selenium: A nearly first-principles calculation. , 1992, Physical review letters.

[310]  Core polarization in semiconductors: Effects on quasiparticle energies. , 1992, Physical review letters.

[311]  Martin Stutzmann,et al.  The origin of visible luminescencefrom “porous silicon”: A new interpretation , 1992 .

[312]  J. Inglesfield,et al.  Unoccupied Electronic States , 1992 .

[313]  Galli,et al.  Reconstruction of the diamond (111) surface. , 1992, Physical review letters.

[314]  Cohen,et al.  Band gaps of diamond under anisotropic stress. , 1992, Physical review. B, Condensed matter.

[315]  Zhu,et al.  Pressure-induced insulator-metal transitions in solid xenon and hydrogen: A first-principles quasiparticle study. , 1992, Physical review. B, Condensed matter.

[316]  Fiorentini Semiconductor band structures at zero pressure. , 1992, Physical review. B, Condensed matter.

[317]  M. Hybertsen Microscopic theory of heterojunction band offsets , 1992 .

[318]  Allan,et al.  Elastic constants of a Si/Ge superlattice and of bulk Si and Ge. , 1992, Physical review. B, Condensed matter.

[319]  S. J. Berkowitz,et al.  Epitaxial growth and characterization of zinc‐blende gallium nitride on (001) silicon , 1992 .

[320]  Jackson,et al.  Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. , 1992, Physical review. B, Condensed matter.

[321]  F. Aryasetiawan,et al.  Dielectric response and quasiparticle energies in nickel , 1992 .

[322]  Suzuki,et al.  Pseudo-gap at the Fermi level in K3C60 observed by photoemission and inverse photoemission. , 1992, Physical review letters.

[323]  Aryasetiawan Self-energy of ferromagnetic nickel in the GW approximation. , 1992, Physical review. B, Condensed matter.

[324]  Krieger,et al.  Systematic approximations to the optimized effective potential: Application to orbital-density-functional theory. , 1992, Physical review. A, Atomic, molecular, and optical physics.

[325]  Lucia Reining,et al.  An efficient method for calculating quasiparticle energies in semiconductors , 1992 .

[326]  R. Needs,et al.  Electronic excitation energies in Schottky barriers , 1992 .

[327]  Krieger,et al.  Construction and application of an accurate local spin-polarized Kohn-Sham potential with integer discontinuity: Exchange-only theory. , 1992, Physical review. A, Atomic, molecular, and optical physics.

[328]  Engel,et al.  Calculation of the dielectric properties of semiconductors. , 1992, Physical review. B, Condensed matter.

[329]  First-principles self-energy calculations of carrier-induced band-gap narrowing in silicon. , 1992, Physical review. B, Condensed matter.

[330]  J. H. Weaver,et al.  KxC60: Nonequilibrium thin film growth and spectroscopic results , 1992 .

[331]  Local-field correction for nonlinear optical coefficients. , 1993, Physical review. B, Condensed matter.

[332]  Cappellini,et al.  Model dielectric function for semiconductors. , 1993, Physical review. B, Condensed matter.

[333]  Ortega,et al.  Inverse-photoemission study of Ge(100), Si(100), and GaAs(100): Bulk bands and surface states. , 1993, Physical review. B, Condensed matter.

[334]  Shirley,et al.  Electron excitations in solid C60: Energy gap, band dispersions, and effects of orientational disorder. , 1993, Physical review letters.

[335]  R. Kremer,et al.  The energy gaps of fullerene C60 and C70 determined from the temperature dependent microwave conductivity , 1993 .

[336]  Northrup Electronic structure of Si(100)c(4 x 2) calculated within the GW approximation. , 1993, Physical review. B, Condensed matter.

[337]  Krueger,et al.  Quasiparticle band-structure calculations for C, Si, Ge, GaAs, and SiC using Gaussian-orbital basis sets. , 1993, Physical review. B, Condensed matter.

[338]  Shirley,et al.  GW quasiparticle calculations in atoms. , 1993, Physical review. B, Condensed matter.

[339]  S. Louie,et al.  Electron excitation energies in fullerites: Many-electron and molecular orientational effects , 1993 .

[340]  Quasiparticle theory versus density-functional theory at a metal surface. , 1993, Physical review letters.

[341]  G. Iafrate,et al.  Self-consistent calculations of atomic properties using self-interaction-free exchange-only Kohn-Sham potentials. , 1993, Physical review. A, Atomic, molecular, and optical physics.

[342]  Godby,et al.  First-principles calculations of many-body band-gap narrowing at an Al/GaAs(110) interface. , 1993, Physical review letters.

[343]  Quong,et al.  First-principles evaluation of dynamical response and plasmon dispersion in metals. , 1993, Physical review letters.

[344]  Sipe,et al.  Nonlinear optical response of semiconductors in the independent-particle approximation. , 1993, Physical review. B, Condensed matter.

[345]  Shirley,et al.  Many-body core-valence partitioning. , 1993, Physical review. B, Condensed matter.

[346]  Van de Walle Cg,et al.  First-principles investigation of visible light emission from silicon-based materials. , 1993 .

[347]  Joseph A. Miragliotta,et al.  Linear- and nonlinear-optical properties of GaN thin films , 1993 .

[348]  Teter Additional condition for transferability in pseudopotentials. , 1993, Physical review. B, Condensed matter.

[349]  Engel,et al.  Generalized plasmon-pole model and plasmon band structures of crystals. , 1993, Physical review. B, Condensed matter.

[350]  Effect of Ga 3d states on the structural properties of GaAs and GaP. , 1993, Physical review. B, Condensed matter.

[351]  Petroff,et al.  Photoemission linewidths and quasiparticle lifetimes. , 1993, Physical review. B, Condensed matter.

[352]  W. Mönch Semiconductor Surfaces and Interfaces , 1994 .

[353]  Huang,et al.  Calculation of optical excitations in cubic semiconductors. I. Electronic structure and linear response. , 1993, Physical review. B, Condensed matter.

[354]  S. Louie,et al.  Electronic structure and its dependence on local order for H/Si(111)-(1×1) surfaces , 1993 .

[355]  Winter,et al.  Application of the self-interaction correction to transition-metal oxides. , 1993, Physical review. B, Condensed matter.

[356]  Scheffler,et al.  Electronic and structural properties of GaN by the full-potential linear muffin-tin orbitals method: The role of the d electrons. , 1993, Physical review. B, Condensed matter.

[357]  Band gaps in a generalized density-functional theory. , 1993, Physical review. B, Condensed matter.

[358]  A. Eguiluz,et al.  On the electron self-energy at a metal surface , 1993 .

[359]  Calculated quasiparticle band gap of beta -C3N4. , 1993 .

[360]  Shirley,et al.  Quasiparticle band structure of AlN and GaN. , 1993, Physical review. B, Condensed matter.

[361]  D. Allan,et al.  Band-theoretic calculations of the optical-activity tensor of α-quartz and trigonal Se , 1993 .

[362]  T. Moustakas,et al.  Growth of gallium nitride thin films by electron cyclotron resonance microwave plasma‐assisted molecular beam epitaxy , 1993 .

[363]  Baroni,et al.  Density-functional theory of the dielectric constant: Gradient-corrected calculation for silicon. , 1994, Physical Review B (Condensed Matter).

[364]  Dobson Harmonic-potential theorem: Implications for approximate many-body theories. , 1994, Physical review letters.

[365]  Alder,et al.  Static dielectric response of the electron gas. , 1994, Physical review. B, Condensed matter.

[366]  Powell,et al.  Calculated and measured uv reflectivity of SiC polytypes. , 1994, Physical review. B, Condensed matter.

[367]  Christensen,et al.  Optical and structural properties of III-V nitrides under pressure. , 1994, Physical review. B, Condensed matter.

[368]  Zhu,et al.  Self-energy effects on the surface-state energies of H-Si(111)1 x 1. , 1994, Physical review. B, Condensed matter.

[369]  First-Principles Study of the Effects of Interface Structure on the Schottky Barrier Height of the Al-GaAs(110) Interface , 1994 .

[370]  Chen,et al.  Linear and nonlinear optical properties of four polytypes of SiC. , 1994, Physical review. B, Condensed matter.

[371]  Lowest-order vertex-correction contribution to the direct gap of silicon. , 1994, Physical review. B, Condensed matter.

[372]  Karlsson,et al.  Electronic structure of clean and hydrogen-chemisorbed Ge(001) surfaces studied by photoelectron spectroscopy. , 1994, Physical review. B, Condensed matter.

[373]  Martin,et al.  Quantum Monte Carlo of nitrogen: Atom, dimer, atomic, and molecular solids. , 1994, Physical review letters.

[374]  Levine Optical second-harmonic susceptibilities: Frequency-dependent formulation with results for GaP and GaAs. , 1994, Physical review. B, Condensed matter.

[375]  Nelson,et al.  Explicit treatment of the gallium 3d electrons in GaN using the plane-wave pseudopotential method. , 1994, Physical review. B, Condensed matter.

[376]  Cohen,et al.  Quasiparticle band structures of six II-VI compounds: ZnS, ZnSe, ZnTe, CdS, CdSe, and CdTe. , 1994, Physical review. B, Condensed matter.

[377]  L. Reining,et al.  Electronic Structure of Cubic GaN with Self-Energy Corrections , 1994 .

[378]  Quantum Monte Carlo study of density-functional theory for a semiconducting wire. , 1994, Physical review. B, Condensed matter.

[379]  Sadao Adachi,et al.  Gaas And Related Materials , 1994 .

[380]  Steven G. Louie,et al.  Stability and Band Gap Constancy of Boron Nitride Nanotubes , 1994 .

[381]  Z. Levine Calculation of optical second-harmonic susceptibilities and optical activity for crystals , 1994 .

[382]  T. Tomoyose Dielectric Constants of Ge, Sn, and Isoelectronic Semiconductors , 1994 .

[383]  F. Bechstedt,et al.  Quasi-Particle Bands for C(111) 2 × 1 Surfaces–Support for the Dimerized π-Bonded Chain Model , 1994 .

[384]  Gunnarsson,et al.  Product-basis method for calculating dielectric matrices. , 1994, Physical review. B, Condensed matter.

[385]  Á. Rubio,et al.  Quasiparticle band structures of short-period superlattices and ordered alloys of AlN and GaN. , 1994, Physical review. B, Condensed matter.

[386]  L. Kipp,et al.  Inverse combined with direct photoemission: Momentum resolved electronic structure of 2D systems , 1994 .

[387]  B. Segall,et al.  THEORETICAL STUDY OF THE BAND OFFSETS AT GAN/ALN INTERFACES , 1994 .

[388]  Exchange-correlation potentials at semiconductor interfaces. , 1994, Physical review. B, Condensed matter.

[389]  GW Gamma approximation for electron self-energies in semiconductors and insulators. , 1994, Physical review. B, Condensed matter.

[390]  Gunnarsson,et al.  Electronic structure of NiO in the GW approximation. , 1995, Physical review letters.

[391]  Kleinman,et al.  Optimized effective potentials for semiconductors. , 1995, Physical review. B, Condensed matter.

[392]  Center of mass and relative motion in time dependent density functional theory. , 1994, Physical review letters.

[393]  Godby,et al.  Density-Polarization Functional Theory of the Response of a Periodic Insulating Solid to an Electric Field. , 1995, Physical review letters.

[394]  Cohen,et al.  Quasiparticle excitations in GaAs1-xNx and AlAs1-xNx ordered alloys. , 1995, Physical review. B, Condensed matter.

[395]  Krüger,et al.  Quasiparticle band structure of CdS. , 1995, Physical review letters.

[396]  Massidda,et al.  Band-structure picture for MnO reexplored: A model GW calculation. , 1995, Physical review letters.

[397]  Paulus,et al.  Electron correlations for ground-state properties of group-IV semiconductors. , 1995, Physical review. B, Condensed matter.

[398]  Holloway,et al.  Evaluation of GW approximation for the self-energy of a Hubbard cluster. , 1995, Physical review letters.

[399]  Cohen,et al.  Quasiparticle band structure of bulk hexagonal boron nitride and related systems. , 1995, Physical review. B, Condensed matter.

[400]  L. Hedin Electron correlation: Keeping close to an orbital description , 1995 .

[401]  Cappellini,et al.  Efficient quasiparticle band-structure calculations for cubic and noncubic crystals. , 1995, Physical review. B, Condensed matter.

[402]  Self-consistent GW for a quasi-one-dimensional semiconductor. , 1995, Physical review. B, Condensed matter.

[403]  L. Kipp,et al.  An intrinsic metallic surface state on Ge(001) 2 × 1 , 1995 .

[404]  Z. Levine,et al.  Calculated second‐harmonic susceptibilities of BN, AlN, and GaN , 1995 .

[405]  R. Needs,et al.  Space-time method for ab initio calculations of self-energies and dielectric response functions of solids. , 1995, Physical review letters.

[406]  Kwon,et al.  Quasiparticle bands in a two-dimensional crystal found by GW and quantum Monte Carlo calculations. , 1995, Physical review. B, Condensed matter.

[407]  Louie,et al.  Quasiparticle excitation energies for the F-center defect in LiCl. , 1995, Physical review. B, Condensed matter.

[408]  Plasmon and quasiparticle band structures in β-SiC , 1995 .

[409]  Ullrich,et al.  Time-dependent optimized effective potential. , 1995, Physical review letters.

[410]  Aryasetiawan,et al.  Bulk and surface electronic structures of MgO. , 1995, Physical review. B, Condensed matter.

[411]  Total energy calculation for the uniform electron gas in the GW approximation , 1995 .

[412]  Aversa,et al.  Nonlinear optical susceptibilities of semiconductors: Results with a length-gauge analysis. , 1995, Physical review. B, Condensed matter.

[413]  Small calculated second-harmonic generation in Si1Ge1. , 1995, Physical review. B, Condensed matter.

[414]  Metallic nature of the symmetric dimer model of Si(001)-(2 x 1). , 1995, Physical review. B, Condensed matter.

[415]  Krüger,et al.  Efficient scheme for GW quasiparticle band-structure calculations with applications to bulk Si and to the Si(001)-(2 x 1) surface. , 1995, Physical review. B, Condensed matter.

[416]  George C. John,et al.  Porous silicon: theoretical studies , 1995 .

[417]  Vogl,et al.  Self-interaction corrections in semiconductors. , 1995, Physical review. B, Condensed matter.

[418]  Massidda,et al.  Polarization and dynamical charge of ZnO within different one-particle schemes. , 1995, Physical review. B, Condensed matter.

[419]  Godby,et al.  GW self-energy calculations of carrier-induced band-gap narrowing in n-type silicon. , 1995, Physical review. B, Condensed matter.

[420]  Andreoni,et al.  Ab initio calculations of the quasiparticle and absorption spectra of clusters: The sodium tetramer. , 1995, Physical review letters.

[421]  Mixed-space formalism for the dielectric response in periodic systems. , 1995, Physical review. B, Condensed matter.

[422]  Chen,et al.  Extended infrared studies of high pressure hydrogen. , 1996, Physical review letters.

[423]  Optical properties of solids within the independent-quasiparticle approximation: Dynamical effects. , 1996, Physical review. B, Condensed matter.

[424]  Karlsson,et al.  Multiple Plasmon Satellites in Na and Al Spectral Functions from Ab Initio Cumulant Expansion. , 1996, Physical review letters.

[425]  Car,et al.  Generalized-gradient approximations to density-functional theory: A comparative study for atoms and solids. , 1996, Physical review. B, Condensed matter.

[426]  Hadis Morkoç,et al.  Valence‐band discontinuities of wurtzite GaN, AlN, and InN heterojunctions measured by x‐ray photoemission spectroscopy , 1996 .

[427]  M. Petersilka,et al.  Excitation energies from time-dependent density-functional theory. , 1996 .

[428]  Paulus,et al.  Cohesive energies of cubic III-V semiconductors. , 1996, Physical review. B, Condensed matter.

[429]  Ab initio pseudopotential study of the structural phase transformations of ZnS under high pressure. , 1996, Physical review. B, Condensed matter.

[430]  Kotani,et al.  KKR-ASA method in exact exchange-potential band-structure calculations. , 1996, Physical review. B, Condensed matter.

[431]  Wills,et al.  Calculated optical properties of Si, Ge, and GaAs under hydrostatic pressure. , 1996, Physical review. B, Condensed matter.

[432]  N. H. March Electron Correlation in Molecules and Condensed Phases , 1996 .

[433]  Philippe M. Fauchet,et al.  Photoluminescence and electroluminescence from porous silicon , 1996 .

[434]  Hughes,et al.  Calculation of second-order optical response in semiconductors. , 1996, Physical review. B, Condensed matter.

[435]  Krüger,et al.  First-principles calculations of beta -SiC(001) surfaces. , 1996, Physical review. B, Condensed matter.

[436]  Freeman,et al.  Self-consistent relativistic full-potential Korringa-Kohn-Rostoker total-energy method and applications. , 1996, Physical review. B, Condensed matter.

[437]  Lowest-order corrections to the RPA polarizability and GW self-energy of a semiconducting wire. , 1996, Physical review. B, Condensed matter.

[438]  Gunnarsson,et al.  3d semicore states in ZnSe, GaAs, and Ge. , 1996, Physical review. B, Condensed matter.

[439]  Krüger,et al.  Self-interaction and relaxation-corrected pseudopotentials for II-VI semiconductors. , 1996, Physical review. B, Condensed matter.

[440]  GW spectral functions of Gd and NiO. , 1996, Physical review. B, Condensed matter.

[441]  J. Waldrop,et al.  Measurement of AlN/GaN (0001) heterojunction band offsets by x‐ray photoemission spectroscopy , 1996 .

[442]  S. Ke,et al.  Valence‐band offsets and different band‐gap behaviors of (β‐GaN)/(β‐AlN) superlattice and (α‐GaN)/(α‐AlN) superlattice , 1996 .

[443]  Resta Density-Polarization-Functional Theory and Long-Range Correlation in Dielectrics. , 1996, Physical review letters.

[444]  Y. Kubo Compton Profiles of Li in the GW Approximation , 1996 .

[445]  Krueger,et al.  Quasiparticle band structures of clean, hydrogen-, and sulfur-terminated Ge(001) surfaces. , 1996, Physical review. B, Condensed matter.

[446]  Vogl,et al.  Generalized Kohn-Sham schemes and the band-gap problem. , 1996, Physical review. B, Condensed matter.

[447]  Kohn,et al.  Current-Dependent Exchange-Correlation Potential for Dynamical Linear Response Theory. , 1996, Physical review letters.

[448]  Insulator-metal transition of fluid molecular hydrogen. , 1996, Physical review. B, Condensed matter.

[449]  Fry,et al.  Quasiparticle spectra of trans-polyacetylene. , 1996, Physical review. B, Condensed matter.

[450]  Polarization-dependent density-functional theory and quasiparticle theory: Optical response beyond local-density approximations. , 1996, Physical review. B, Condensed matter.

[451]  Lubos Mitas Electronic structure by quantum Monte Carlo: atoms, molecules and solids , 1996 .

[452]  Holm,et al.  Self-consistent GW0 results for the electron gas: Fixed screened potential W0 within the random-phase approximation. , 1996, Physical review. B, Condensed matter.

[453]  F. Bechstedt,et al.  Nonlocality and many-body effects in the optical properties of semiconductors. , 1996, Physical review. B, Condensed matter.

[454]  Rubio,et al.  Density-functional theory of the nonlinear optical susceptibility: Application to cubic semiconductors. , 1996, Physical review. B, Condensed matter.

[455]  Wilkins,et al.  Large local-field corrections in optical rotatory power of quartz and selenium. , 1996, Physical review letters.

[456]  Mao,et al.  Synchrotron infrared spectroscopy to 0.15 eV of H2 and D2 at megabar pressures. , 1996, Physical review letters.

[457]  Optimized effective-potential calculations of Ge and GaAs. , 1996, Physical review. B, Condensed matter.

[458]  Shirley Self-consistent GW and higher-order calculations of electron states in metals. , 1996, Physical review. B, Condensed matter.

[459]  M. Ludwig Optical properties of silicon-based materials : A comparison of porous and spark-processed silicon , 1996 .

[460]  G. Drake Atomic, molecular, & optical physics handbook , 1996 .

[461]  M. Rohlfing,et al.  Ab initio calculations of structural and electronic properties of prototype surfaces of group IV, III–V and II–VI semiconductors , 1996 .

[462]  R. Needs,et al.  Monte Carlo Investigation of Exchange and Correlation in Silicon , 1996 .

[463]  Görling,et al.  Density-functional theory for excited states. , 1996, Physical review. A, Atomic, molecular, and optical physics.

[464]  Self-energy corrections in transition metal oxides , 1997 .

[465]  Assessment of the GW approximation using Hubbard chains , 1997, cond-mat/9711120.

[466]  Y. Kubo Effects of Electron Correlations on Compton Profiles of Li and Na in the GW Approximation. , 1997 .

[467]  S. Louie,et al.  CORE POLARIZATION IN SOLIDS: FORMULATION AND APPLICATION TO SEMICONDUCTORS , 1997 .

[468]  Electronic structure calculations by quantum Monte Carlo methods , 1997 .

[469]  ELIMINATION OF UNOCCUPIED-STATE SUMMATIONS IN AB INITIO SELF-ENERGY CALCULATIONS FOR LARGE SUPERCELLS , 1997, cond-mat/9803228.

[470]  R. W. Godby,et al.  Long-wavelength behavior of the exchange-correlation kernel in the Kohn-Sham theory of periodic systems , 1997 .

[471]  P. Fulde,et al.  Valence-band structure of group-IV semiconductors by means of local increments , 1997 .

[472]  O. Gunnarsson Electron self-energy in (A = K, Rb): effects of plasmons in the GW approximation , 1997, cond-mat/9701144.

[473]  A. Shkrebtii,et al.  Plane-wave pseudopotential calculation of the optical properties of GaAs , 1997 .

[474]  Lucia Reining,et al.  Ab initio calculation of the quasiparticle spectrum and excitonic effects in Li 2 O , 1997 .

[475]  T. Fauster,et al.  Time-resolved coherent photoelectron spectroscopy of quantized electronic states on metal surfaces , 1997 .

[476]  S. Conti,et al.  TIME-DEPENDENT DENSITY FUNCTIONAL THEORY BEYOND THE ADIABATIC LOCAL DENSITY APPROXIMATION , 1997 .

[477]  Correlated ab-initio calculations for ground-state properties of II-VI semiconductors , 1997, cond-mat/9706128.

[478]  Alessandra Continenza,et al.  Quasiparticle energy bands of transition-metal oxides within a model GW scheme , 1997 .

[479]  R. Martin,et al.  Functional theory of extended Coulomb systems , 1997 .

[480]  A. Schindlmayr VIOLATION OF PARTICLE NUMBER CONSERVATION IN THE GW APPROXIMATION , 1997, cond-mat/9709275.

[481]  J. Sipe,et al.  Calculation of linear and second-order optical response in wurtzite GaN and AlN , 1997 .

[482]  Jacek A. Majewski,et al.  Exact Kohn-Sham Exchange Potential in Semiconductors , 1997 .

[483]  F. Bechstedt,et al.  COMPENSATION OF DYNAMICAL QUASIPARTICLE AND VERTEX CORRECTIONS IN OPTICAL SPECTRA , 1997 .

[484]  Jian-Guo Li Energetics of metal/ceramic interfaces, metal-semiconductor Schottky contacts, and their relationship , 1997 .

[485]  M. Rohlfing,et al.  Quasiparticle calculations of semicore states in Si, Ge, and CdS , 1997 .

[486]  VALENCE-BAND STRUCTURE OF CUBIC CDS AS DETERMINED BY ANGLE-RESOLVED PHOTOEMISSION , 1997 .

[487]  R. Martin,et al.  APPLICATIONS OF THE GENERALIZED-GRADIENT APPROXIMATION TO ATOMS, CLUSTERS,AND SOLIDS , 1997 .

[488]  Nonlocality of kohn-sham exchange-correlation fields in dielectrics , 1997, cond-mat/9705253.

[489]  Improved local-field corrections to the G_ {0} W approximation in jellium: Importance of consistency relations , 1997 .

[490]  Density-Functional Theory of Polar Insulators , 1996, cond-mat/9611234.

[491]  B. Farid Self-consistent density-functional approach to the correlated ground states and an unrestricted many-body perturbation theory , 1997 .

[492]  Shuji Nakamura,et al.  The Blue Laser Diode: GaN based Light Emitters and Lasers , 1997 .

[493]  A. G. Cullis,et al.  The structural and luminescence properties of porous silicon , 1997 .

[494]  Z. Levine,et al.  Nonlinear local-field corrections to the optical second-harmonic susceptibility of insulating crystals , 1997 .

[495]  E. Palik Handbook of Optical Constants of Solids , 1997 .

[496]  GW method for 3d and 4f systems , 1997 .

[497]  GRADIENT-CORRECTED CORRELATION WITH NEARLY EXACT KOHN-SHAM EXCHANGE : CALCULATIONS FOR SI AND GE , 1997 .

[498]  The exchange-correlation potential for current-density functional theory of frequency-dependent linear response , 1997, cond-mat/9707062.

[499]  J. H. Davies,et al.  The physics of low-dimensional semiconductors , 1997 .

[500]  Spectral properties of quasiparticles in a semiconductor , 1997 .

[501]  F. Bechstedt,et al.  Optical functions of semiconductors beyond density-functional theory and random-phase approximation , 1997 .

[502]  Evert Jan Baerends,et al.  Density-functional-theory response-property calculations with accurate exchange-correlation potentials , 1998 .

[503]  Spectra and total energies from self-consistent many-body perturbation theory , 1998, cond-mat/9806121.

[504]  The charge density of semiconductors in the GW approximation , 1998, cond-mat/9801021.

[505]  SYSTEMATIC VERTEX CORRECTIONS THROUGH ITERATIVE SOLUTION OF HEDIN'S EQUATIONS BEYOND THE GW APPROXIMATION , 1997, cond-mat/9710295.

[506]  L. Benedict,et al.  Theory of optical absorption in diamond, Si, Ge, and GaAs , 1998 .

[507]  Eric L. Shirley,et al.  Optical Absorption of Insulators and the Electron-Hole Interaction: An Ab Initio Calculation , 1998 .

[508]  The mechanism of light emission from porous silicon: where are we 7 years on? , 1998 .

[509]  Collective intersubband transitions in quantum wells: A comparative density-functional study , 1998, cond-mat/9806252.

[510]  First-order corrections to random-phase approximation GW calculations in silicon and diamond , 1998 .

[511]  Steven G. Louie,et al.  Excitonic Effects and the Optical Absorption Spectrum of Hydrogenated Si Clusters , 1998 .

[512]  Quantum Monte Carlo calculations of the one-body density matrix and excitation energies of silicon , 1998 .

[513]  Johannes Pollmann,et al.  Role of semicore d electrons in quasiparticle band-structure calculations , 1998 .

[514]  S. Louie,et al.  Structural properties and quasiparticle band structure of zirconia , 1998 .

[515]  R. Hemley,et al.  The revealing role of pressure in the condensed matter sciences , 1998 .

[516]  F. Aryasetiawan,et al.  First-Principles T -Matrix Theory with Application to the 6 eV Satellite in Ni , 1998 .

[517]  K. Burke,et al.  Why semilocal functionals work: Accuracy of the on-top pair density and importance of system averaging , 1998 .

[518]  Stefan Albrecht Lucia Reining Rodolfo Del Sole Giovanni Onida Ab Initio Calculation of Excitonic Effects in the Optical Spectra of Semiconductors , 1998 .

[519]  Electronic excitations and correlation effects in metals , 1998 .

[520]  Exchange-Correlation Hole in Polarized Insulators: Implications for the Microscopic Functional Theory of Dielectrics , 1997, cond-mat/9709067.

[521]  F. Aryasetiawan,et al.  The GW method , 1997, cond-mat/9712013.

[522]  U. V. Barth,et al.  Fully self-consistent GW self-energy of the electron gas , 1998 .

[523]  Adolfo G. Eguiluz,et al.  SELF-CONSISTENT CALCULATIONS OF QUASIPARTICLE STATES IN METALS AND SEMICONDUCTORS , 1998 .

[524]  Walter R. L. Lambrecht,et al.  Efficient ab initio method for the calculation of frequency-dependent second-order optical response in semiconductors , 1998 .

[525]  Exact exchange-correlation kernel for dynamic response properties and excitation energies in density-functional theory , 1998 .

[526]  AB INITIO SECOND-HARMONIC SUSCEPTIBILITIES OF SEMICONDUCTORS : GENERALIZEDTETRAHEDRON METHOD AND QUASIPARTICLE EFFECTS , 1998 .

[527]  Steven G. Louie,et al.  Electron-Hole Excitations in Semiconductors and Insulators , 1998 .

[528]  Eric L. Shirley,et al.  AB INITIO INCLUSION OF ELECTRON-HOLE ATTRACTION : APPLICATION TO X-RAY ABSORPTION AND RESONANT INELASTIC X-RAY SCATTERING , 1998 .

[529]  R. Needs,et al.  Dynamic image potential at an Al(111) surface , 1997, cond-mat/9711245.

[530]  Á. Nagy,et al.  Density functional. Theory and application to atoms and molecules , 1998 .

[531]  R. Needs,et al.  Diffusion quantum Monte Carlo calculations of the excited states of silicon , 1998 .