Relativistic Quantum Chemistry

[1]  B. Johansson,et al.  Calculated bulk properties of the actinide metals , 1978 .

[2]  P. Hay,et al.  The covalent and ionic states of the rare gas monofluorides , 1978 .

[3]  J. R. Wazer,et al.  Application of effective potentials to relativistic hartree—fock calculations , 1978 .

[4]  P. Pyykkö,et al.  Proton, carbon, and cadmium nmr measurements and relativistic calculation of the cadmium-carbon coin tensor in dimethyl cadmium , 1978 .

[5]  A. C. Wahl,et al.  Pseudopotential study of some prominent band systems of the spectra of the I2 molecule , 1978 .

[6]  S. Rose,et al.  The direct and indirect effects in the relativistic modification of atomic valence orbitals , 1978 .

[7]  A. Rosén.  Relativistic symmetry orbitals for the double groups C2v, C∞v, D∞h, and Oh , 1978 .

[8]  T. Morović,et al.  Self-consistent relativistic molecular calculations of superheavy molecules (/sub 110/X)F/sub 6/ , 1978 .

[9]  C. Y. Yang.  Relativistic scattered‐wave theory. II. Normalization and symmetrization , 1978 .

[10]  W. R. Wadt,et al.  Relativistic and nonrelativistic effective core potentials for xenon. Applications to XeF, Xe2, and Xe2+ , 1978 .

[11]  Keith H. Johnson,et al.  Relativistic Xα–scattered‐wave calculations for the uranyl ion , 1978 .

[12]  W. Schwarz,et al.  Pseudo-potential approach including relativistic effects , 1978 .

[13]  W. C. Ermler,et al.  Ab initio effective core potentials including relativistic effects. I. Formalism and applications to the Xe and Au atoms , 1977 .

[14]  K. Schreckenbach,et al.  High precision measurement and calculation of the hypersatellite Kα1h X-ray energy for Z = 80 , 1977 .

[15]  W. E. Baylis.  An approximate treatment of intra-atomic correlation in Hartree-Fock calculations: the Hg2(X1 Σg+) potential , 1977 .

[16]  D. Ellis,et al.  Interpretation of quasimolecular L X-rays in heavy-ion collisions☆ , 1977 .

[17]  R. P. Messmer,et al.  The Interaction of Atomic Hydrogen with Ni, Pd, and Pt Clusters , 1977 .

[18]  P. Pyykkö,et al.  Dirac-Fock one-centre calculations. The model systems TiH4, ZrH4, HfH4 and (104)H4 , 1977 .

[19]  D. Koelling,et al.  A technique for relativistic spin-polarised calculations , 1977 .

[20]  P. Deshmukh,et al.  A new scale of electronegativity on the basis of calculations of effective nuclear charges from X-ray spectroscopic data , 1977 .

[21]  D. Lin,et al.  Relativistic oscillator strengths for E1 transitions in the argon isoelectronic sequence , 1977 .

[22]  D. Lin.  Gauge properties of the Hartree-Fock and random-phase approximations , 1977 .

[23]  R. Gerber,et al.  Relativistic effects on interactions between heavy atoms: the HgHg potential , 1977 .

[24]  L. Veseth.  Relativistic corrections to the Zeeman effect in diatomic molecules , 1977 .

[25]  N. Pyper,et al.  On the interpretation of Hund's rules in atomic spectra , 1977 .

[26]  T. P. Das,et al.  Relativistic effects on the core-polarization contribution to the hyperfine interaction in transition-metal and rare-earth atoms and ions , 1977 .

[27]  C. Lin,et al.  Application of the relativistic random-phase approximation to the photoionisation of atoms , 1977 .

[28]  P. Pyykko.  Relativistic theory of nuclear spin-spin coupling in molecules , 1977 .

[29]  J. Newmarch,et al.  Symmetry coupling coefficients for the double groups C n*, D n* and T* , 1977 .

[30]  D. M. Bishop.  Relativistic corrections for H2+ and its isotopes , 1977 .

[31]  I. Bersuker,et al.  Semi‐quantitative and semi‐empirical versions in the quasi‐relativistic SCF‐MO‐LCAO methods: Numerical calculations for (PtCl6)2− , 1977 .

[32]  H. Toivonen,et al.  Relativistic molecular orbitals for the double group D3h , 1977 .

[33]  V. A. Gubanov,et al.  Electronic structure and bonding in ThO2 and UO2 , 1977 .

[34]  J. Peel,et al.  Non-empirical valence-electron molecular orbital calculations: spin-orbit splitting in the ion states of the tin and antimony halides , 1977 .

[35]  D. Ellis,et al.  Ionization energies and optical spectra of 5d-metal hexafluorides as calculated in the Dirac-Slater model , 1977 .

[36]  P. Pyykkö,et al.  Dirac–Fock one-centre calculations show (114)H4 to resemble PbH4 , 1977, Nature.

[37]  H. Adachi,et al.  RELATIVISTIC SELF-CONSISTENT MOLECULAR ORBITAL CALCULATION FOR UF6 , 1977 .

[38]  Mau H. Chen,et al.  Theoretical L-shell Coster-Kronig energies 11 ≤ Z ≤ 103 , 1977 .

[39]  N. Pyper,et al.  Theoretical chemistry of superheavy elements E116 and E114 , 1977, Nature.

[40]  C. W. Nestor,et al.  Calculation of K and L x rays for elements of Z=95 to 130 , 1977 .

[41]  D. Ellis.  A relativistic exchange potential , 1977 .

[42]  D. Ellis,et al.  Interpretation of noncharacteristic M X-rays in heavy colliding systems by selfconsistent relativistic molecular calculations , 1976 .

[43]  K. Rajnak.  Hartree-Fock calculations for many configurations of U I , 1976 .

[44]  P. Weinberger,et al.  Relativistic scattered-wave theory by means of the elimination method , 1976 .

[45]  W. Johnson,et al.  Self-energy corrections to the K-electron binding in heavy and superheavy atoms , 1976 .

[46]  D. M. Bishop.  Adiabatic relativistic rotation-vibration energy levels for HD+, HT+, and DT+ , 1976 .

[47]  J. Migdalek.  Theoretical oscillator strengths III. Transitions in Au I, Hg II, Pb IV, and Bi V spectra , 1976 .

[48]  L. G. Ferreira,et al.  Relativistic Green's-function method for solids and molecules , 1976 .

[49]  D. Mayers,et al.  Studies in multiconfiguration Dirac-Fock theory. I. The low-lying spectrum of Hf III , 1976 .

[50]  T. Fehlner,et al.  Valence level photoelectron spectra of some heavy group 4-6 diatomic molecules , 1976 .

[51]  R. Bartlett,et al.  Relativistic energy levels and bonding in actinide hexaflourides. [Dirac-Slater model] , 1976 .

[52]  K. Huang.  Calculation of the vacuum-polarization potential , 1976 .

[53]  M. Whitehead,et al.  A plain man's view of the muffin-tin approximation in molecular calculations, and the solid state , 1976 .

[54]  D. C. Griffin,et al.  Approximate relativistic corrections to atomic radial wave functions , 1976 .

[55]  D. Ellis,et al.  Effects of secondary ligands on the electronic structure of uranyls , 1976 .

[56]  P. Pyykkö,et al.  Dirac—Fock one-centre calculations. The molecules BH, AlH, GaH, InH and TlH , 1976 .

[57]  T. A. Williams,et al.  The He I photoelectron spectrum of TeO , 1976 .

[58]  R. Matcha.  Relativistic effects in diatomic molecules. II. Relativistic contributions to binding energy in alkali halide molecules , 1976 .

[59]  Mau H. Chen,et al.  Neutral-atom electron binding energies from relaxed-orbital relativistic Hartree-Fock-Slater calculations 2 ≤ Z ≤ 106 , 1976 .

[60]  D. Lin,et al.  Relativistic effects on transition probabilities in the Li and Be isoelectronic sequences , 1976 .

[61]  P. Kaufmann,et al.  Relativistic effects in the variable-screening model , 1976 .

[62]  G. Malli,et al.  Relativistic symmetry spinors for polyatomics. II , 1976 .

[63]  I. Lindgren,et al.  Fine-structure intervals in alkali-like spectra obtained from many-body theory , 1976 .

[64]  Z. Rudzikas,et al.  Perturbation theory for the relativistic energy of atomic systems , 1976 .

[65]  Cary Y. Yang.  Relativistic Xα scattered-wave calculations for C2 and I2☆☆☆ , 1976 .

[66]  C. Lin,et al.  Relativistic random phase approximation applied to atoms of the He isoelectronic sequence , 1976 .

[67]  D. A. Shirley,et al.  Relativistic effects in the UV photoelectron spectra of group VI diatomic molecules , 1976 .

[68]  E. Luc-Koenig.  Doublet inversions in alkali-metal spectra: Relativistic and correlation effects , 1976 .

[69]  H. Deckman,et al.  Magnetic scattering of neutrons by a relativistic atom , 1976 .

[70]  A. C. Wahl,et al.  A modified pseudopotential approach to the heavy‐atomic molecular systems: Application to the X 2Σ1/2+, A 2Π1/2, and the A 2Π3/2 states of the HgH molecule , 1976 .

[71]  J. Migdalek.  Theoretical oscillator strengths for some transitions in P(III), As(III), Sb(III) and Bi(III) , 1976 .

[72]  B. Cartling,et al.  Relativistic molecular spinors by generalized multiple scattering theory , 1976 .

[73]  E. Moore,et al.  On the reduction of the Dirac equation to non-relativistic form: the dipole-dipole interaction in the hydrogen atom , 1976 .

[74]  P. Pyykkö,et al.  Dirac-Fock one-centre calculations. The molecules CuH, AgH and AuH including p-type symmetry functions , 1976 .

[75]  I. P. Grant,et al.  Breit interaction in multi-configuration relativistic atomic calculations , 1976 .

[76]  B. Kandilarov,et al.  Effective mass notion in the relativistic Kronig-Penney model , 1976 .

[77]  J. Migdalek.  Theoretical oscillator strengths for some transitions in Si(II), Ge(II), Sn(II) and Pb(II) spectra , 1976 .

[78]  A. Freeman,et al.  Relativistic electron densities and isomer shifts in transition-metal ions , 1976 .

[79]  J. Avron,et al.  The relativistic Kronig-Penney Hamiltonian , 1976 .

[80]  P. Pyykkö,et al.  Spectral density analysis of nuclear spin—spin coupling: II. Hartree-Fock LCAO studies for homonuclear coupling constants , 1976 .

[81]  Yong-ki Kim,et al.  Relativistic f values for the resonance transitions of Li- and Be-like ions. [Hartree-Fock calculations, dipole oscillator strengths] , 1976 .

[82]  J. Migdalek.  Theoretical oscillator strengths II. Transitions in principal, sharp, and diffuse spectral series of Al III, Ga III, In III, and Tl III spectra , 1976 .

[83]  J. Migdalek.  Theoretical relativistic oscillator strengths I. Transitions in principal, sharp, and diffuse series of Al I, Ga I, In I, and Tl I spectra , 1976 .

[84]  F. Larkins.  Relativistic LS multiplet energies for atoms and ions , 1976 .

[85]  T. Kagawa.  Relativistic Hartree-Fock-Roothaan theory for open-shell atoms , 1975 .

[86]  F. Mark,et al.  The relativistic virial theorem by the elimination method and nonrelativistic approximations to this theorem , 1975 .

[87]  D. Newman,et al.  Interpretation of S-state ion E.P.R. spectra , 1975 .

[88]  E. Moore,et al.  Finite nucleus models for molecular calculations , 1975 .

[89]  O. C. Simpson,et al.  Relation between charge and force parameters of closed‐shell atoms and ions , 1975 .

[90]  E. Moore,et al.  On the reduction of the Dirac equation to non-relativistic form: the Fermi contact interaction in the hydrogen atom , 1975 .

[91]  R. Ribberfors.  Relationship of the relativistic Compton cross section to the momentum distribution of bound electron states. II. Effects of anisotropy and polarization , 1975 .

[92]  C. Jørgensen,et al.  The quantum numbers of the fluorescent state of the uranyl ion , 1975 .

[93]  Roland Ribberfors,et al.  Relationship of the relativistic Compton cross section to the momentum distribution of bound electron states , 1975 .

[94]  P. Pyykkö,et al.  Spectral density analysis of nuclear spin-spin coupling: I. A Hulthén potential LCAO model for JX-H in hydrides XH4 , 1975 .

[95]  D. Ormondt,et al.  Relativistic potential expressions in open-shell SCF calculations , 1975 .

[96]  B. Cartling,et al.  Multiple scattering formalism for a molecular Dirac equation , 1975 .

[97]  R. Parrot.  Relativistic contribution to the dipole strengths of triplet states of d5 ions , 1975 .

[98]  Cary Y. Yang,et al.  Relativistic Scattered-Wave Theory , 1975 .

[99]  R. Manne,et al.  Photoelectron spectrum and structure of GaI3 , 1975 .

[100]  G. Malli,et al.  Relativistic self‐consistent‐field (RSCF) theory for closed‐shell molecules , 1975 .

[101]  K. Pitzer.  Are elements 112, 114, and 118 relatively inert gases? , 1975 .

[102]  K. Pitzer,et al.  Effects of relativity and of the lanthanide contraction on the atoms from hafnium to bismuth , 1975 .

[103]  P. Pyykkö.  Comments on calculations of nuclear spin-spin coupling constants using the blinder operator , 1975 .

[104]  Yong-ki Kim,et al.  Relativistic effects in outer shells of heavy atoms , 1975 .

[105]  A. Freeman,et al.  Relativistic electron densities and isomer shifts of Fe57 in iron-oxygen and iron-fluorine clusters and of iron in solid noble gases , 1975 .

[106]  J. Berkowitz.  PES of high temperature vapors. VII. S2 and Te2 , 1975 .

[107]  P. Mohr.  Lamb shift in a strong Coulomb potential , 1975 .

[108]  D. Ellis,et al.  Relativistic molecular calculations in the Dirac–Slater model , 1975 .

[109]  M. Hall.  Use of spin-orbit coupling in the interpretation of photoelectron spectra. I. Application to substituted rhenium pentacarbonyls , 1975 .

[110]  D. Hestenes.  Observables, operators, and complex numbers in the Dirac theory , 1975 .

[111]  R. Manne,et al.  Spin-orbit interaction in molecular photoelectron spectra An intermediate coupling approach , 1975 .

[112]  S. E. M. Jones,et al.  On the use of the Breit—Pauli approximation in the study of relativistic effects in electron-atom scattering , 1975, Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences.

[113]  J. Desclaux,et al.  Relativistic and non-relativistic Hartree-Fock one-centre expansion calculations for the series CH4 to PbH4 within the spherical approximation , 1974 .

[114]  G. Malli,et al.  Relativistic molecular symmetry spinors for diatomics , 1974 .

[115]  W. Eissner,et al.  Techniques for the calculation of atomic structures and radiative data including relativistic corrections , 1974 .

[116]  Peter J. Mohr,et al.  Numerical evaluation of the 1S12-state radiative level shift , 1974 .

[117]  Youngchan Kim,et al.  Valence shell excitation accompanying photoionization in mercury , 1974 .

[118]  D. Ormondt,et al.  On relativistic wavefunctions generated by configuration interaction , 1974 .

[119]  B. Fricke,et al.  Two-muonic atoms , 1974 .

[120]  D. Ellis,et al.  Relativistic molecular wavefunctions: XeF2 , 1974 .

[121]  James H. Scofield,et al.  Relativistic Hartree-Slater Values for K and L X-Ray Emission Rates , 1974 .

[122]  J. B. Mann,et al.  Relativistic hartree—fock compton profiles for the rare gases and lead , 1974 .

[123]  E. Luc-Koenig.  Relativistic effects on transition probabilities 3P1?1S0 for group II elements , 1974 .

[124]  W. Reed,et al.  Relationship of the relativistic Compton cross section to the electron's velocity distribution , 1974 .

[125]  M. Schlüter,et al.  Electronic structure and optical properties of Pb I 2 , 1974 .

[126]  Ting Ho Lee,et al.  Model for calculating spin‐orbit interactions with applications to photoelectron spectroscopy , 1973 .

[127]  J. E. Lowther,et al.  Relativistic effects in the ground state splitting parameters of Mn2+ ions , 1973 .

[128]  M. Coulthard.  Relativistic Hartree-Fock calculations of some properties of rare earth atoms and ions , 1973 .

[129]  W. Greiner,et al.  Solution of the Dirac equation with two Coulomb centres , 1973 .

[130]  A. Rosén,et al.  Relativistic Effects in the Magnetic Hyperfine Structure of the 3dN4s2 Atoms , 1973 .

[131]  R. Matcha.  Relativistic changes accompanying molecular formation , 1973 .

[132]  J. Berkowitz,et al.  PES of high‐temperature vapors. IV. The cesium halides. Effect of spin‐orbit interaction on the photoelectron and mass spectra of the alkali halides , 1973 .

[133]  J. Lindgren,et al.  Relativistic Hyperfine Structure Correction Factors for d and f Electrons Calculated with Hydrogen Wave Functions , 1973 .

[134]  R. M. Golding.  Symmetry coupling coefficients for the icosahedral double group , 1973 .

[135]  D. Ormondt,et al.  Comments on the relativistic crystal field , 1973 .

[136]  C. W. Nestor,et al.  Predicted properties of the superheavy elements. II. Element 111, eka-gold , 1973 .

[137]  P. Pyykkö,et al.  Hydrogen‐like relativistic corrections for electric and magnetic hyperfine integrals , 1973 .

[138]  A. Rosén,et al.  Relativistic Correction Factors to the Magnetic Dipole and Electric Quadrupole Hyperfine Integrals Calculated with Hydrogen Wave Functions , 1973 .

[139]  C. Bhalla.  Relativistic HFS oscillator strengths for indium and gallium , 1973 .

[140]  M. Hussonnois,et al.  SCF Dirac-Hartree-Fock calculations in the periodic system , 1973 .

[141]  A. Freeman,et al.  Relativistic energy band structure and properties of γ-uranium , 1973 .

[142]  A. D. McLean,et al.  Use of nonrelativistic wavefunctions for the prediction of properties of molecules containing atoms of high Z. PbO as a test case , 1973 .

[143]  P. Pyykkö,et al.  Relativistic and nonrelativistic magnetic‐dipole hyperfine matrix elements for molecular calculations , 1973 .

[144]  P. Pyykkö,et al.  On second-order magnetic hyperfine interactions in one-electron atoms: connections between the Schrodinger, Dirac and quantum electrodynamical perturbation calculations , 1973 .

[145]  T. Walker,et al.  Modified Hund's Rule for j j Coupling , 1973 .

[146]  L. Miller.  Local Exchange Potential for the Relativistic Hartree-Fock Equations , 1973 .

[147]  R. H. Pratt,et al.  Atomic Photoelectric Effect Above 10 keV , 1973 .

[148]  D. Newman,et al.  The relativistic crystal field , 1973 .

[149]  E. Koenig.  Fonctions d'onde atomiques relativistes dans l'approximation du champ central: Application AU CS I , 1972 .

[150]  E. Luc-Koenig.  Étude à priori de l'influence des effets relativistes sur la structure hyperfine de 129Xe et 131Xe , 1972 .

[151]  L. L. Lohr.  Spin-forbidden electronic excitations in transition metal complexes , 1972 .

[152]  K. Wittel.  Spin—Orbit coupling in I+2 , 1972 .

[153]  I. Bersuker,et al.  Quasi-relativistic approximation in the SCF-MO-LCAO method , 1972 .

[154]  C. W. Scherr.  Relativistic corrections for variational wavefunctions , 1972 .

[155]  H. F. Henneike.  Semiempirical molecular orbital study of mercury-199-proton coupling constants. I. Method and aliphatic systems , 1972 .

[156]  B. Fricke,et al.  Model Calculations on the Influence of Quantum Electrodynamical Effects on the Chemistry of Superheavy Elements. The Chemistry of Element E184 , 1972 .

[157]  A. Rosén.  Hyperfine structure analysis for the ground configuration of bismuth. , 1972 .

[158]  Marvin H. Mittleman,et al.  Configuration-Space Hamiltonian for Heavy Atoms and Correction to the Breit Interaction , 1972 .

[159]  A. Freeman,et al.  RELATIVISTIC ELECTRONIC BAND STRUCTURE OF THE HEAVY METALS AND THEIR INTERMETALLIC COMPOUNDS , 1972 .

[160]  J. Detrich.  Pauli Approximation in Many-Electron Atoms , 1972 .

[161]  U. Rößler,et al.  Semi-empirical band structure theory , 1972 .

[162]  B. Fricke,et al.  Atomic and Ionic Radii of Superheavy Elements , 1972 .

[163]  B. Fricke,et al.  Precise calculations of atomic electron binding energies in fermium , 1972 .

[164]  H. S. Gutowsky,et al.  Z Dependence of Coupling Constants between Directly Bonded Nuclei. The Value of J (73Ge–13C) , 1971 .

[165]  T. A. Carlson,et al.  Calculation of the K X-ray intensities for elements from Z = 92 to 126 , 1971 .

[166]  W. Greiner,et al.  The continuation of the periodic table up to Z = 172. The chemistry of superheavy elements , 1971 .

[167]  C. W. Nestor,et al.  Relativistic Hartree-Fock-Slater eigenvalues, radial expectation values, and potentials for atoms, 2 ≤ Z ≤ 126 , 1971 .

[168]  M. Okazaki,et al.  Relativistic Korringa-Kohn-Rostoker Method of Band Calculation for Non-Muffin-Tin Potential , 1971 .

[169]  P. Pyykkö,et al.  Improved relativistic corrections to the Fermi-contact hyperfine Hamiltonian , 1971 .

[170]  D. Mayers,et al.  RELATIVISTIC ATOMIC WAVE FUNCTIONS. , 1971 .

[171]  R. Pitzer,et al.  Second-order perturbation theory with the contact interaction , 1971 .

[172]  J. Desclaux,et al.  Relativistic energies of excited states of atoms and ions of the second period , 1971 .

[173]  C. Bhalla.  Relativistic Hartree-Fock-Slater oscillator strengths for Tl , 1970 .

[174]  M. Nurmia,et al.  Chemical separation of rutherfordium , 1970 .

[175]  J. Desclaux,et al.  Relativistic Hartree-Fock Hyperfine-Structure Calculations for the Scandium, Copper, Gallium, and Bromine Atoms , 1970 .

[176]  G. G. Hall,et al.  A second-order calculation of the hyperfine splittings in atomic hydrogen , 1970 .

[177]  N. Christensen,et al.  Relativistic Band Calculation and the Optical Properties of Gold , 1970 .

[178]  W. Mackrodt.  Estimates of some molecular relativistic energies from single-centre expansions , 1970 .

[179]  T. P. Das,et al.  Theory of the Knight Shift and the Relaxation Time in Lead , 1970 .

[180]  C. Sommers,et al.  Relativistic Band Structure of Gold , 1969 .

[181]  D. Koelling.  Symmetrized Relativistic Augmented-Plane-Wave Method: Gray Tin and the Warped Muffin-Tin Potential , 1969 .

[182]  A. Szabó.  Contour diagrams for relativistic orbitals , 1969 .

[183]  C. W. Nestor,et al.  Calculation of K, L, M and N binding energies and K X-rays for elements from Z = 96–120 , 1969 .

[184]  D. Beck.  Relativistic and Correlation Effects for Optical Levels of Large Atomic Systems: Application to Tl ii , 1969 .

[185]  J. B. Mann.  Stability of 8p Electrons in Superheavy Elements , 1969 .

[186]  D. Cromer,et al.  SCF Dirac–Slater Calculations of the Translawrencium Elements , 1969 .

[187]  C. W. Nestor,et al.  Relativistic Self-Consistent-Field Calculation of the Wave Functions, Eigenvalues, Isotope Shifts, and the 6s Hyperfine-Structure Coupling Constant as a Function of Pressure for Metallic Gold in the Wigner-Seitz Model , 1969 .

[188]  T. P. Das,et al.  Relativistic Effects on the Hyperfine Interactions in Alkali Metals , 1969 .

[189]  D. C. Griffin,et al.  Theoretical calculations of the d-, f-, and g-electron transition series. , 1969 .

[190]  T. P. Das,et al.  Theory of Indirect Nuclear-Spin Interactions in Lead , 1968 .

[191]  Richard E. Powell,et al.  Relativistic quantum chemistry: The electrons and the nodes , 1968 .

[192]  Joseph Chatt.  Hydride Complexes , 1968, Science.

[193]  A. Heuvelen.  Relativistic Crystal‐Field Splitting of Mn2+ , 1967 .

[194]  S. M. Blinder,et al.  Relativistic Effects in Chemical Bonding: The H2+ Molecule , 1967 .

[195]  D. Hafemeister.  Relativistic Corrections to the Electron Density at the Nuclear Surface and to the Alkali Halide Overlap Integrals , 1967 .

[196]  M. Coulthard.  Calculation of relativistic effects in many-electron hyperfine structure , 1967 .

[197]  Yong-ki Kim.  Relativistic Self-Consistent-Field Theory for Closed-Shell Atoms , 1967 .

[198]  V. Burke,et al.  The effect of relativity on atomic wave functions , 1967 .

[199]  E. F. Hayes,et al.  Single-Center Expansions of Molecular Electronic Wavefunctions , 1967 .

[200]  Y. Onodera,et al.  Tables of Basis Functions for Double Point Groups , 1966 .

[201]  D. Mayers,et al.  Screening constants for relativistic wave functions , 1966, Mathematical Proceedings of the Cambridge Philosophical Society.

[202]  B. G. Wybourne,et al.  ENERGY LEVELS OF TRIVALENT GADOLINIUM AND IONIC CONTRIBUTIONS TO THE GROUND- STATE SPLITTING , 1966 .

[203]  I. Zvara,et al.  Chemical properties of element 104 , 1966 .

[204]  J. D. Garcia.  Radiative Corrections to the Energies of Atoms and Molecules , 1966 .

[205]  Y. Onodera,et al.  Relativistic Theory for Energy-Band Calculation , 1966 .

[206]  T. Inui,et al.  Relativistic Energy Bands of KI , 1966 .

[207]  B. G. Wybourne.  Use of Relativistic Wavefunctions in Crystal‐Field Theory , 1965 .

[208]  P. Sandars,et al.  Relativistic effects in many electron hyperfine structure I. Theory , 1965, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[209]  B. D. Joshi.  Self‐Consistent‐Field Wavefunctions and Computed Potential‐Energy Curves for the NH3 and NH Molecules, in One‐Center Approximation , 1965 .

[210]  T. Loucks.  RELATIVISTIC ELECTRONIC STRUCTURE IN CRYSTALS. I. THEORY , 1965 .

[211]  D. Cromer,et al.  Orbital Radii of Atoms and Ions , 1965 .

[212]  J. Ladik.  Determination of the Most Important Radiation Correction Terms for the Ground State of the Hydrogen Molecule , 1965 .

[213]  P. Soven.  Relativistic Band Structure and Fermi Surface of Thallium. I , 1965 .

[214]  G. Pratt,et al.  Energy Bands in PbTe , 1965 .

[215]  J. W. Halley,et al.  Molecular Binding in the Limit of Very Large Spin—Orbit Interaction , 1965 .

[216]  L. Wolniewicz,et al.  Accurate Adiabatic Treatment of the Ground State of the Hydrogen Molecule , 1964 .

[217]  M. Synek.  ANALYTICAL RELATIVISTIC SELF-CONSISTENT FIELD THEORY , 1964 .

[218]  J. Canfield,et al.  TOTAL ENERGIES FROM NUMERICAL SELF-CONSISTENT FIELD CALCULATIONS , 1964 .

[219]  E. Clementi,et al.  Relativistic Correction for Analytic Hartree-Fock Wave Functions , 1964 .

[220]  F. Herman,et al.  Relativistic Corrections to the Band Structure of Tetrahedrally Bonded Semiconductors , 1963 .

[221]  G. Pratt,et al.  Relativistic Effects in the Band Structure of Pbte , 1963 .

[222]  A. Larson,et al.  Indirect Relativistic Effect on the5fElectrons in Uranium , 1963 .

[223]  R. E. Watson,et al.  Theory of spin-orbit coupling in atoms, II. Comparison of theory with experiment , 1963, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[224]  R. E. Watson,et al.  Theory of spin-orbit coupling in atoms I. Derivation of the spin-orbit coupling constant , 1962, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[225]  J. Corbett.  The Cadmium(I) Ion Cd22+. Raman Spectrum and Relationship to Hg22+1 , 1962 .

[226]  I. Grant.  Relativistic self-consistent fields , 1961, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[227]  J. Ladik.  Approximate determination of the most important radiation correction energy terms for the ground state of the hydrogen molecule , 1961 .

[228]  J. Ladik.  The ground state of the hydrogen molecule on the basis of relativistic quantum mechanics with the aid of the Wang wave function , 1961 .

[229]  W. N. Asaad.  Relativistic K Electron Wave Functions by the Variational Principle , 1960 .

[230]  Stanley. Cohen.  RELATIVISTIC SELF-CONSISTENT SOLUTIONS FOR ATOMS OF LARGE ATOMIC NUMBER , 1960 .

[231]  A. Fröman.  Relativistic Corrections in Many-Electron Systems , 1960 .

[232]  G. W. Lehman.  Statistical Potential for Actinide Metal Energy Band Calculations , 1960 .

[233]  G. W. Lehman.  Effect of Spin-Orbit Coupling on the Energy Levels in the 6d Band for Actinide Metals , 1959 .

[234]  J. Ladik.  The ground state of the hydrogen molecule on the basis of the relativistic quantum mechanics with the aid of the Wang wave function , 1959 .

[235]  D. Mayers,et al.  Lamb shift of a tightly bound electron II. Calculation for the K-electron in mercury , 1959, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[236]  A. Fröman.  Correlation Energies of Some He- and Ne-Like Systems , 1958 .

[237]  G. Breit,et al.  Theory of Isotope Shift , 1958 .

[238]  Russell S. Drago,et al.  Thermodynamic Evaluation of the Inert Pair Effect , 1958 .

[239]  J. Callaway,et al.  Relativistic Effects in the Cohesive Energies of the Alkali Metals , 1957 .

[240]  D. Mayers.  Relativistic self-consistent field calculation for mercury , 1957, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[241]  R. J. Elliott,et al.  Spin-Orbit Coupling in Band Theory—Character Tables for Some "Double" Space Groups , 1954 .

[242]  R. J. Elliott,et al.  Theory of the Effect of Spin-Orbit Coupling on Magnetic Resonance in Some Semiconductors , 1954 .

[243]  N. Kroll,et al.  Vacuum Polarization in a Strong Coulomb Field , 1954 .

[244]  J. Gilvarry.  RELATIVISTIC THOMAS-FERMI ATOM MODEL , 1954 .

[245]  S. F. Boys,et al.  Electronic wave functions - A calculation of eight variational wave functions for C1, C1-, S and S- , 1954, Philosophical Transactions of the Royal Society of London. Series A, Mathematical and Physical Sciences.

[246]  A. Bodmer.  Nuclear Scattering of Electrons and Isotope Shift , 1953 .

[247]  N. Ramsey.  Electron Coupled Interactions between Nuclear Spins in Molecules , 1953 .

[248]  M. E. Rose,et al.  THE VIRIAL THEOREM FOR A DIRAC PARTICLE , 1952 .

[249]  G. E. Brown.  XLII. Electron-electron interaction in heavy atoms , 1952 .

[250]  G. E. Brown,et al.  On the interaction of two electrons , 1951, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.

[251]  A. Bohr.  NUCLEAR MAGNETIC MOMENTS AND ATOMIC HYPERFINE STRUCTURE , 1951 .

[252]  Y. Nambu.  Force Potentials in Quantum Field Theory , 1950 .

[253]  A. Schawlow,et al.  Electron-Nuclear Potential Fields from Hyperfine Structure , 1949 .

[254]  A. Williams.  A relativistic self-consistent field for Cu[+] , 1940 .

[255]  H. Primakoff,et al.  Many-Body Interactions in Atomic and Nuclear Systems , 1939 .

[256]  Bertha Swirles,et al.  The Relativistic Self-Consistent Field , 1935 .

[257]  E. A. Uehling.  Polarization effects in the positron theory , 1935 .

[258]  R. S. Mulliken.  The Halogen Molecules and Their Spectra.J−J-Like Coupling. Molecular Ionization Potentials , 1934 .

[259]  H. Jensen.  Zur relativistischen Behandlung des Fermiatoms , 1933 .

[260]  G. Breit.  The Isotope Displacement in Hyperfine Structure , 1932 .

[261]  N. Rosen,et al.  The Relativistic Thomas-Fermi Atom , 1932 .

[262]  J. E. Rosenthal,et al.  The Isotope Shift in Hyperfine Structure , 1932 .

[263]  G. Racah.  Isotopic Displacement and Hyperfine Structure , 1932, Nature.

[264]  E. Fermi,et al.  Über die Wechselwirkung von zwei Elektronen , 1932 .

[265]  G. Breit,et al.  Dirac's Equation and the Spin-Spin Interactions of Two Electrons , 1932 .

[266]  G. Racah.  Zur Theorie der Hyperfeinstruktur , 1931 .

[267]  G. Racah.  Sopra le strutture iperfini , 1931 .

[268]  G. Breit.  The Fine Structure of HE as a Test of the Spin Interactions of Two Electrons , 1930 .

[269]  G. Breit.  Possible Effects of Nuclear Spin on X-Ray Terms , 1930 .

[270]  G. Breit.  The Effect of Retardation on the Interaction of Two Electrons , 1929 .

[271]  J. A. Gaunt.  The Triplets of Helium , 1929 .

[272]  C. Darwin,et al.  The wave equations of the electron , 1928 .

[273]  P. Dirac.  The quantum theory of the electron , 1928 .

[274]  C. Darwin,et al.  LI. The dynamical motions of charged particles , 1920 .

[275]  D. Fekete,et al.  Relativistic quadrupolar contribution in systems with nonvanishing orbital magnetism , 1978 .

[276]  D. Leiter.  A new approach to the semi-classical relativistic two-body problem for charged fermions , 1978 .

[277]  V. Gubanov,et al.  The electronic structure of ESCA spectra of curium dioxide , 1978 .

[278]  G. Soff,et al.  DIRAC-FOCK-SLATER CALCULATIONS FOR THE ELEMENTS Z == 100, FERMIUM, TO Z == 173* , 1977 .

[279]  J. Desclaux,et al.  Limitation of semi-empirical mo-calculations in deriving charge densities ρ(0) in iron-oxygen compounds , 1977 .

[280]  H. Adachi,et al.  Dirac-Slater model calculations of ionization energies for caesium halide molecules , 1977 .

[281]  A. Freeman,et al.  Relativistic magnetic form factors of tripositive rare-earth ions , 1977 .

[282]  L. G. Ferreira,et al.  Relativistic corrections in the multiple-scattering method , 1976 .

[283]  J. Bauche,et al.  Recent Progress in the Theory of Atomic Isotope Shift , 1976 .

[284]  K. Pitzer.  Fluorides of radon and element 118 , 1975 .

[285]  S. Younger,et al.  Relativistic Effects on Line Strengths for Transitions in the Hydrogenic lsoelectronic Sequence. , 1975, Journal of research of the National Bureau of Standards. Section A, Physics and chemistry.

[286]  B. Fricke.  Superheavy elements a prediction of their chemical and physical properties , 1975 .

[287]  A. Freeman,et al.  Influence of unoccupied 5f-band states on the Fermi surface of Th metal , 1975 .

[288]  K. Kajantie,et al.  Gamma ray compton profile of aluminium , 1974 .

[289]  R. Manne,et al.  Photoelectron spectra of iodo ethylenes , 1974 .

[290]  R. Manne,et al.  Higher-order spin-orbit interaction in photoelectron spectra of mercury halides , 1974 .

[291]  L. Armstrong,et al.  Relativistic effects in the many electron atom , 1974 .

[292]  J. Desclaux.  Relativistic Dirac-Fock expectation values for atoms with Z = 1 to Z = 120 , 1973 .

[293]  J. B. Mann,et al.  Self-consistent relativistic Dirac-Hartree-Fock calculations of lanthanide atoms , 1973 .

[294]  M. Coulthard.  Relativistic contributions to screening ratios in europium. , 1973 .

[295]  H. Stroke,et al.  EFFECT OF A DIFFUSE NUCLEAR CHARGE DISTRIBUTION ON THE HYPERFINE-STRUCTURE INTERACTION. , 1972 .

[296]  D. W. Walker.  Relativistic effects in low energy electron scattering from atoms , 1971 .

[297]  E. Heilbronner,et al.  The Competition between Spin Orbit Coupling and Conjugation in Alkyl Halides and its Repercussion on their Photoelectron Spectra , 1971 .

[298]  S. Huzinaga,et al.  Approximate relativistic correction term , 1971 .

[299]  J. B. Mann,et al.  Breit Interaction in Multielectron Atoms , 1971 .

[300]  W. Johnson,et al.  Relativistic One-Electron Calculations of Shielded Atomic Hyperfine Constants , 1971 .

[301]  M. Mittleman.  STRUCTURE OF HEAVY ATOMS: THREE-BODY POTENTIALS. , 1971 .

[302]  B. Fricke.  A phenomenological calculation of vacuum fluctuation in electronic and muonic atoms , 1971 .

[303]  A. Green,et al.  RELATIVISTIC INDEPENDENT-PARTICLE MODEL FOR ATOMS BASED ON ANALYTICAL POTENTIALS. , 1971 .

[304]  J. Dimmock.  The Calculation of Electronic Energy Bands by the Augmented Plane Wave Method , 1971 .

[305]  R. M. Golding.  Symmetry coupling coefficients for the 0* group , 1971 .

[306]  J. Murrell,et al.  The photoelectron spectra of the halomethanes , 1971 .

[307]  W. Johnson,et al.  LAMB SHIFT AND BINDING ENERGIES OF K ELECTRONS IN HEAVY ATOMS. , 1971 .

[308]  L. Asprey,et al.  Calculated Spectroscopic Parameters and the Intermediate Spin‐Orbit Coupling Diagram in the Interpretation of 5f4 AmO2+ Spectra , 1971 .

[309]  Ian P. Grant,et al.  RELATIVISTIC CALCULATION OF ATOMIC STRUCTURES. , 1970 .

[310]  J. B. Mann,et al.  Calculation of Spin–Orbit Coupling Constants and Other Radial Parameters for the Actinide Ions Using Relativistic Wavefunctions , 1970 .

[311]  J. Leclercq.  RELATIVISTIC SELF-CONSISTENT-FIELD THEORY FOR OPEN-SHELL ATOMS. I. , 1970 .

[312]  J. B. Mann,et al.  SCF Relativistic Hartree–Fock Calculations on the Superheavy Elements 118–131 , 1970 .

[313]  G. Chanmugam,et al.  ELECTROMAGNETIC MANY-BODY FORCES. , 1970 .

[314]  F. Feiock,et al.  ATOMIC SUSCEPTIBILITIES AND SHIELDING FACTORS. , 1969 .

[315]  R. McEachran,et al.  Relativistic Theory of H2 , 1969 .

[316]  A. Rosén.  Analysis of the hyperfine structure of the ground-state multiplet of the samarium atom , 1969 .

[317]  D. W. Walker.  Relativistic and exchange effects in electron scattering from mercury , 1969 .

[318]  C. W. Nestor,et al.  CALCULATION OF THE ELECTRON BINDING ENERGIES AND X-RAY ENERGIES FOR THE SUPERHEAVY ELEMENTS 114, 126, AND 140 USING RELATIVISTIC SELF-CONSISTENT-FIELD ATOMIC WAVE FUNCTIONS. , 1968 .

[319]  P. Denti.  Screening constants for a relativistic description of atomic systems , 1968 .

[320]  H. Doyle.  Relativistic Z-Dependent Corrections to Atomic Energy Levels for the Helium to Neon Iso-Electronic Sequences. , 1968 .

[321]  Arne Rosén,et al.  RELATIVISTIC CALCULATIONS OF ELECTRON BINDING ENERGIES BY A MODIFIED HARTREE--FOCK--SLATER METHOD. , 1968 .

[322]  L. Goodman,et al.  Probability of Singlet-Triplet Transitions , 1968 .

[323]  D. M. Bishop.  Single-Center Molecular Wave Functions , 1967 .

[324]  C. Bhalla.  INTERNAL CONVERSION COEFFICIENTS WITH RELATIVISTIC HARTREE--FOCK MODEL FOR THE DEFORMED REGION. , 1967 .

[325]  W. Johnson,et al.  RELATIVISTIC SELF-CONSISTENT FIELDS WITH EXCHANGE. , 1967 .

[326]  M. Coulthard.  A RELATIVISTIC HARTREE--FOCK ATOMIC FIELD CALCULATION. , 1967 .

[327]  L. Jansen.  Quantum Chemistry and Crystal Physics: Stability of Crystals of Rare Gas Atoms and Alkali Halides in Terms of Three-Atom and Three-Ion Exchange Interactions , 1966 .

[328]  J. Schonfelder.  Atomic structures and electron scattering in the relativistic Hartree approximation , 1966 .

[329]  A. Animalu.  The spin-orbit interaction in metals and semiconductors , 1966 .

[330]  S. M. Blinder.  Theory of Atomic Hyperfine Structure , 1966 .

[331]  D. Cromer.  ANOMALOUS DISPERSION CORRECTIONS COMPUTED FROM SELF-CONSISTENT FIELD RELATIVISTIC DIRAC-SLATER WAVE FUNCTIONS , 1965 .

[332]  D. Cromer,et al.  Self-Consistent-Field Dirac-Slater Wave Functions for Atoms and Ions. I. Comparison with Previous Calculations , 1965 .

[333]  T. Itoh.  Derivation of Nonrelativistic Hamiltonian for Electrons from Quantum Electrodynamics , 1965 .

[334]  D. Cromer,et al.  Scattering factors computed from relativistic Dirac–Slater wave functions , 1965 .

[335]  D. A. Shirley,et al.  Application and Interpretation of Isomer Shifts , 1964 .

[336]  Suraj N. Gupta.  Particle-particle and particle-antiparticle interactions , 1964 .

[337]  E. Clementi.  Approximate relativistic correction for 10–18 electrons in atoms , 1964 .

[338]  D. McClure,et al.  Electronic Spectra of Molecules and Ions in Crystals Part II. Spectra of Ions in Crystals , 1959 .

[339]  L. Orgel.  843. Stereochemistry of metals of the B sub-groups. Part I. Ions with filled d-electron shells , 1958 .

[340]  J. Reitz.  The Effect of Screening on Beta-Ray Spectra and Internal Conversion , 1950 .

[341]  V. Weisskopf,et al.  The Influence of Nuclear Structure on the Hyperfine Structure of Heavy Elements , 1950 .

[342]  H. Bethe,et al.  Termaufspaltung in Kristallen , 1929 .

[343]  W. Gordon.  Die Energieniveaus des Wasserstoffatoms nach der Diracschen Quantentheorie des Elektrons , 1928 .

[344]  A. Sommerfeld.  Zur Quantentheorie der Spektrallinien , 1916 .