Density-functional theory for f-electron systems: the α-γ phase transition in cerium.
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Angel Rubio | Matthias Scheffler | Patrick Rinke | Marco Casadei | Xinguo Ren | M. Scheffler | Á. Rubio | X. Ren | P. Rinke | M. Casadei
[1] M. Troyer,et al. Magnetic susceptibility of cerium: An LDA+DMFT study , 2011, 1106.3470.
[2] J. Kondo. Resistance Minimum in Dilute Magnetic Alloys , 1964 .
[3] A. Mackintosh,et al. Positron annihilation in rare-earth metals☆ , 1964 .
[4] Axel D. Becke,et al. Density‐functional thermochemistry. IV. A new dynamical correlation functional and implications for exact‐exchange mixing , 1996 .
[5] W. E. Pickett,et al. Reformulation of the LDA+U method for a local orbital basis , 1996 .
[6] Matthias Scheffler,et al. Random-phase approximation and its applications in computational chemistry and materials science , 2012, Journal of Materials Science.
[7] M. Mundt,et al. Self-interaction correction and the optimized effective potential. , 2008, The Journal of chemical physics.
[8] V. Anisimov,et al. Validity of the Anderson and Hubbard models for the description of metallic Ce and cerium heavy fermion compounds , 2010 .
[9] B. Delley,et al. Low-Energy Excitations in a- and ?-Ce Observed by Photoemission , 1985 .
[10] Gabriel Kotliar,et al. Strongly Correlated Materials: Insights From Dynamical Mean-Field Theory , 2004 .
[11] Krishnan Raghavachari,et al. Gaussian‐1 theory of molecular energies for second‐row compounds , 1990 .
[12] R. Scalettar,et al. Cerium volume collapse: results from the merger of dynamical mean-field theory and local density approximation. , 2001, Physical review letters.
[13] J. Zaanen,et al. Density-functional theory and strong interactions: Orbital ordering in Mott-Hubbard insulators. , 1995, Physical review. B, Condensed matter.
[14] L. Kronik,et al. Orbital-dependent density functionals: Theory and applications , 2008 .
[15] Georg Kresse,et al. The Perdew-Burke-Ernzerhof exchange-correlation functional applied to the G2-1 test set using a plane-wave basis set. , 2005, The Journal of chemical physics.
[16] W. Holzapfel. Structural systematics of 4f and 5f elements under pressure , 1995 .
[17] R. Dreizler,et al. Density Functional Theory: An Approach to the Quantum Many-Body Problem , 1991 .
[18] Kai-Ming Ho,et al. First-principles calculation of the equilibrium ground-state properties of transition metals: Applications to Nb and Mo , 1983 .
[19] A. Zunger,et al. Self-interaction correction to density-functional approximations for many-electron systems , 1981 .
[20] M. K. Wilkinson,et al. NEUTRON DIFFRACTION INVESTIGATIONS OF METALLIC CERIUM AT LOW TEMPERATURES , 1961 .
[21] Y. Vohra,et al. {alpha}-uranium phase in compressed neodymium metal , 2000 .
[22] Simmons,et al. Surface and bulk electronic structure of Ce metal studied by high-resolution resonant photoemission. , 1991, Physical review. B, Condensed matter.
[23] O. Gunnarsson,et al. Density-functional calculation of effective Coulomb interactions in metals. , 1991, Physical review. B, Condensed matter.
[24] Zhao,et al. Determination of triple points in the phase diagram of praseodymium. , 1995, Physical review. B, Condensed matter.
[25] R. Delaunay,et al. Probing the transition in bulk Ce under pressure: a direct investigation by resonant inelastic X-ray scattering. , 2006, Physical review letters.
[26] Eriksson,et al. Hubbard parameters for metallic Ce. , 1992, Physical review letters.
[27] Peter H. Stauffer,et al. Rare earth elements: critical resources for high technology , 2002 .
[28] A. Nikolaev,et al. Electric quadrupole interactions and the γ–α phase transition in Ce: the role of conduction electrons , 2000 .
[29] W. Pickett,et al. Ground and metastable states in γ-Ce from correlated band theory , 2001 .
[30] D. Wieliczka,et al. Angle-resolved photoemission from. gamma. -Ce: Distinguishing band peaks from f-electron emission , 1984 .
[31] R. Podloucky,et al. Band structure, cohesive properties, and Compton profile ofγ- andα-cerium , 1983 .
[32] M. Grioni,et al. Recent developments in high-energy spectroscopies of Kondo systems , 1996 .
[33] Jeffrey Goldstone,et al. Derivation of the Brueckner many-body theory , 1957, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.
[34] O. Gunnarsson,et al. Electron spectroscopies for Ce compounds in the impurity model , 1983 .
[35] P. Löwdin. Correlation Problem in Many‐Electron Quantum Mechanics I. Review of Different Approaches and Discussion of Some Current Ideas , 2007 .
[36] H. Eshuis,et al. A parameter-free density functional that works for noncovalent interactions , 2011 .
[37] T. Van Voorhis,et al. Fluctuation-dissipation theorem density-functional theory. , 2005, The Journal of chemical physics.
[38] F. Jollet,et al. γandβcerium:LDA+Ucalculations of ground-state parameters , 2008 .
[39] M. Dolg,et al. Electronic structure of lanthanide dimers , 2003 .
[40] R. Scalettar,et al. Thermodynamic and spectral properties of compressed Ce calculated using a combined local-density approximation and dynamical mean-field theory , 2002, cond-mat/0208443.
[41] Similarities between the hubbard and periodic anderson models at finite temperatures , 1999, Physical review letters.
[42] U. Benedict. Pressure-induced phase transitions in 5f and 4f metals and compounds , 1993 .
[43] John P. Perdew,et al. Theory of nonuniform electronic systems. I. Analysis of the gradient approximation and a generalization that works , 1980 .
[44] Angel Rubio,et al. Advanced correlation functionals: application to bulk materials and localized systems. , 2007, The journal of physical chemistry. A.
[45] V. Fock. Bemerkung zur Quantelung des harmonischen Oszillators im Magnetfeld , 1928 .
[46] Georg Kresse,et al. Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids , 2010 .
[47] Andreas Savin,et al. Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions. , 2014, The Journal of chemical physics.
[48] Roland Lindh,et al. New relativistic atomic natural orbital basis sets for lanthanide atoms with applications to the Ce diatom and LuF3. , 2008, The journal of physical chemistry. A.
[49] Mel Levy,et al. Electron densities in search of Hamiltonians , 1982 .
[50] Richard L. Martin,et al. Hybrid density-functional theory and the insulating gap of UO2. , 2002, Physical review letters.
[51] C. Marianetti,et al. Electronic structure calculations with dynamical mean-field theory , 2005, cond-mat/0511085.
[52] J. Hubbard. On the Interaction of Electrons in Metals , 1955 .
[53] D. Jérome,et al. Low temperature electrical resistivity of α-cerium under pressure , 1973 .
[54] Jarrell,et al. Anomalous properties of the Hubbard model in infinite dimensions. , 1994, Physical review. B, Condensed matter.
[55] R. Xu,et al. Phonons of the anomalous element cerium , 2011, Proceedings of the National Academy of Sciences.
[56] A. V. Nikolaev,et al. Intrasite 4f-5d electronic correlations in the quadrupolar model of the γ-α phase transition in Ce , 2002 .
[57] A. Lichtenstein,et al. First-principles calculations of electronic structure and spectra of strongly correlated systems: the LDA+U method , 1997 .
[58] F. Jollet,et al. Hybrid functional for correlated electrons in the projector augmented-wave formalism: Study of multiple minima for actinide oxides , 2009 .
[59] K. C. Mundim,et al. GSA algorithm applied to electronic structure II: UHF‐GSA method , 2006 .
[60] D. Antonangeli,et al. Role of the lattice in the two-step evolution of γ-cerium under pressure , 2009 .
[61] A. Nikolaev,et al. Quantum charge density fluctuations and the phase transition in Ce , 1999 .
[62] A. Becke. A New Mixing of Hartree-Fock and Local Density-Functional Theories , 1993 .
[63] D. Farber,et al. Kinetics of the isostructural γ to α transition in cerium investigated by ultrasonics , 2010 .
[64] W. D. Corner,et al. Rare Earth Magnetism , 1973 .
[65] S. Ehara,et al. HIGH-TEMPERATURE MAGNETIC SUSCEPTIBILITY OF LANTHANUM AND CERIUM METALS , 1966 .
[66] Donald G Truhlar,et al. Design of density functionals that are broadly accurate for thermochemistry, thermochemical kinetics, and nonbonded interactions. , 2005, The journal of physical chemistry. A.
[67] W. Schneider,et al. Electronic structure of ?- and a-Ce , 1983 .
[68] S. H. Vosko,et al. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis , 1980 .
[69] D. Freeman. Coupled-cluster expansion applied to the electron gas: Inclusion of ring and exchange effects , 1977 .
[70] Bartlett,et al. Photoelectron spectroscopy of strongly correlated Yb compounds. , 1996, Physical review. B, Condensed matter.
[71] A. Georges,et al. Mott transition and Kondo screening in f-electron metals. , 2005, Physical review letters.
[72] A. J. Arko,et al. Strongly correlated electron systems: photoemission and the single-impurity model , 1997 .
[73] F. Aryasetiawan,et al. Screened Coulomb interaction in the maximally localized Wannier basis , 2007, 0710.4013.
[74] Mats Jonson,et al. Descriptions of exchange and correlation effects in inhomogeneous electron systems , 1979 .
[75] A. W. Lawson,et al. Concerning the High Pressure Allotropic Modification of Cerium , 1949 .
[76] H. Eshuis,et al. Electron correlation methods based on the random phase approximation , 2012, Theoretical Chemistry Accounts.
[77] S. Shen,et al. Mott-Hubbard transition in infinite dimensions , 2001, cond-mat/0105504.
[78] W. Evans,et al. Thermal signatures of the Kondo volume collapse in cerium. , 2008, Physical review letters.
[79] D. Pines. A Collective Description of Electron Interactions: II. Collective vs Individual Particle Aspects of the Interactions , 1952 .
[80] Johansson,et al. Orbital polarization in narrow-band systems: Application to volume collapses in light lanthanides. , 1990, Physical review. B, Condensed matter.
[81] L. Duò,et al. Resonant inverse photoemission in cerium-based materials , 1997 .
[82] M. Scheffler,et al. First-principles modeling of localized d states with the GW@LDA+U approach , 2010 .
[83] D. Pines. A COLLECTIVE DESCRIPTION OF ELECTRON INTERACTIONS: IV. ELECTRON INTERACTION IN METALS , 1953 .
[84] Gustavo E Scuseria,et al. Efficient hybrid density functional calculations in solids: assessment of the Heyd-Scuseria-Ernzerhof screened Coulomb hybrid functional. , 2004, The Journal of chemical physics.
[85] Georg Kresse,et al. Hybrid functionals including random phase approximation correlation and second-order screened exchange. , 2010, The Journal of chemical physics.
[86] John P. Perdew,et al. The exchange-correlation energy of a metallic surface , 1975 .
[87] B. Johansson,et al. Theoretical and Experimental Studies on Gadolinium at Ultra High Pressure , 1998 .
[88] O. Jepsen,et al. Calculations of Hubbard U from first-principles , 2006 .
[89] Liu,et al. alpha - gamma transition in Ce. II. A detailed analysis of the Kondo volume-collapse model. , 1992, Physical review. B, Condensed matter.
[90] M. Brodsky,et al. Electrical Resistivity of a-Cerium , 1973 .
[91] K. Held,et al. Electronic structure calculations using dynamical mean field theory , 2005, cond-mat/0511293.
[92] S. F. Boys,et al. The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors , 1970 .
[93] J. V. Lenthe,et al. State of the Art in Counterpoise Theory , 1994 .
[94] A. Becke. Density-functional thermochemistry. III. The role of exact exchange , 1993 .
[95] K. Gschneidner. Physical properties of the rare earth metals , 1990 .
[96] N. Brookes,et al. alpha-gamma transition in metallic Ce studied by resonant x-ray spectroscopies , 2004 .
[97] Georg Kresse,et al. Assessment of correlation energies based on the random-phase approximation , 2011, 1111.0173.
[98] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[99] Matthias Scheffler,et al. Exploring the random phase approximation: Application to CO adsorbed on Cu(111) , 2009 .
[100] G. Scuseria,et al. Hybrid functionals based on a screened Coulomb potential , 2003 .
[101] T. M. Rice,et al. Metal‐Insulator Transitions , 2003 .
[102] Andreas Savin,et al. Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation. , 2008, Physical review letters.
[103] Linus Pauling,et al. Atomic Radii and Interatomic Distances in Metals , 1947 .
[104] Constantino Tsallis,et al. Optimization by Simulated Annealing: Recent Progress , 1995 .
[105] Jarrell,et al. Hubbard model in infinite dimensions: A quantum Monte Carlo study. , 1992, Physical review letters.
[106] Johansson,et al. Bandlike character of 4f electrons in CeRh3. , 1992, Physical review letters.
[107] P. Hohenberg,et al. Inhomogeneous Electron Gas , 1964 .
[108] Thomas Bredow,et al. Binding energy of adsorbates on a noble-metal surface: exchange and correlation effects. , 2008, Physical review letters.
[109] Evert Jan Baerends,et al. Relativistic total energy using regular approximations , 1994 .
[110] Jirí Cerný,et al. Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs. , 2006, Physical chemistry chemical physics : PCCP.
[111] Georg Kresse,et al. Accurate bulk properties from approximate many-body techniques. , 2009, Physical review letters.
[112] R. Parr. Density-functional theory of atoms and molecules , 1989 .
[113] N. Mōri,et al. Magnetic states of a- and ?-Ce at high pressure , 1995 .
[114] A. Prykarpatsky,et al. The Correlation Energy of Electron Gas at High Density , 2002 .
[115] Combined local-density and dynamical mean field theory calculations for the compressed lanthanides Ce, Pr, and Nd , 2005, cond-mat/0504380.
[116] Holzapfel,et al. Atomic volumes of rare-earth metals under pressures to 40 GPa and above. , 1992, Physical review. B, Condensed matter.
[117] S. Arajs,et al. PARAMAGNETIC BEHAVIOR OF METALLIC CERIUM AND EUROPIUM , 1961 .
[118] Stefano de Gironcoli,et al. Linear response approach to the calculation of the effective interaction parameters in the LDA + U method , 2004, cond-mat/0405160.
[119] Porsch,et al. Novel reentrant high pressure phase transtion in lanthanum. , 1993, Physical review letters.
[120] C. Kittel. Introduction to solid state physics , 1954 .
[121] Gustavo E Scuseria,et al. Assessment and validation of a screened Coulomb hybrid density functional. , 2004, The Journal of chemical physics.
[122] Hubbard model at infinite dimensions: Thermodynamic and transport properties. , 1992, Physical review. B, Condensed matter.
[123] K. C. Mundim,et al. GSA algorithm applied to electronic structure: Hartree–Fock–GSA method , 2005 .
[124] M. Maple,et al. Magnetic susceptibility of cerium metal under pressure , 1971 .
[125] R. Kubo. The fluctuation-dissipation theorem , 1966 .
[126] Liu,et al. alpha - gamma transition in Ce: A detailed analysis of electron spectroscopy. , 1992, Physical review. B, Condensed matter.
[127] G. Shen,et al. Phase diagram and equation of state of praseodymium at high pressures and temperatures , 2003 .
[128] D. Pines,et al. The theory of quantum liquids , 1968 .
[129] Burke,et al. Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.
[130] Kiyoyuki Terakura,et al. Total energy of solids: An exchange and random-phase approximation correlation study , 2002 .
[131] J. Allen,et al. Electronic structure of cerium and light rare-earth intermetallics , 1986 .
[132] C. Tsallis. Possible generalization of Boltzmann-Gibbs statistics , 1988 .
[133] Donald G. Truhlar,et al. Hybrid Meta Density Functional Theory Methods for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions: The MPW1B95 and MPWB1K Models and Comparative Assessments for Hydrogen Bonding and van der Waals Interactions , 2004 .
[134] J. Perdew,et al. Accurate and simple density functional for the electronic exchange energy: Generalized gradient approximation. , 1986, Physical review. B, Condensed matter.
[135] O. Gunnarsson,et al. Photoemission from Ce Compounds: Exact Model Calculation in the Limit of Large Degeneracy , 1983 .
[136] Joyce,et al. Evidence for possible 4f bands at T >> TK in the heavy-fermion single crystal CePt2+x. , 1995, Physical review. B, Condensed matter.
[137] B. Lundqvist,et al. Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism , 1976 .
[138] Self-interaction correction in multiple scattering theory , 2004, cond-mat/0406515.
[139] Matthias Scheffler,et al. Ab initio molecular simulations with numeric atom-centered orbitals , 2009, Comput. Phys. Commun..
[140] John P. Perdew,et al. Exchange-correlation energy of a metallic surface: Wave-vector analysis , 1977 .
[141] H. Mao,et al. Evidence for 4f-shell delocalization in praseodymium under pressure , 1981 .
[142] UK,et al. Numerical renormalization group calculations for the self-energy of the impurity Anderson model , 1998, cond-mat/9804224.
[143] Johansson,et al. Electronic properties of f-electron metals using the generalized gradient approximation. , 1994, Physical review. B, Condensed matter.
[144] D. Tobert,et al. Lanthanides and Actinides , 2007 .
[145] Jackson,et al. Atoms, molecules, solids, and surfaces: Applications of the generalized gradient approximation for exchange and correlation. , 1992, Physical review. B, Condensed matter.
[146] D. G. Pettifor,et al. Correlation between d-band occupancy and crystal structure in the rare earths , 1977 .
[147] John P. Perdew,et al. Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation , 1999 .
[148] John P. Perdew,et al. Erratum: Accurate Density Functional with Correct Formal Properties: A Step Beyond the Generalized Gradient Approximation [Phys. Rev. Lett. 82, 2544 (1999)] , 1999 .
[149] Igor A. Abrikosov,et al. Calculated Phase Diagram for the γ ⇌ α Transition in Ce , 1995 .
[150] D. Hartree. The Wave Mechanics of an Atom with a Non-Coulomb Central Field. Part I. Theory and Methods , 1928, Mathematical Proceedings of the Cambridge Philosophical Society.
[151] C. Swenson,et al. On the existence of a critical point for the phase transition in cerium , 1960 .
[152] Georg Kresse,et al. Making the random phase approximation to electronic correlation accurate. , 2009, The Journal of chemical physics.
[153] B. Meredig,et al. Method for locating low-energy solutions within DFT+U , 2010 .
[154] Caffarel,et al. Exact diagonalization approach to correlated fermions in infinite dimensions: Mott transition and superconductivity. , 1994, Physical review letters.
[155] A. Freeman,et al. Local-density-functional approach to the isostructual γ-α transition in cerium using the self-consistent linearized-augmented-plane-wave method , 1981 .
[156] Börje Johansson,et al. The α-γ transition in cerium is a Mott transition , 1974 .
[157] K. Burke,et al. Rationale for mixing exact exchange with density functional approximations , 1996 .
[158] W. Heisenberg,et al. Zur Quantentheorie der Molekeln , 1924 .
[159] C. Saw,et al. Static high-pressure structural studies on Dy to 119 GPa , 2003 .
[160] John P. Perdew,et al. Molecular and solid‐state tests of density functional approximations: LSD, GGAs, and meta‐GGAs , 1999 .
[161] M. Mehl,et al. Electronic structure and superconducting properties of lanthanum , 2008 .
[162] O. Delaire,et al. No role for phonon entropy in the fcc→fcc volume collapse transition in Ce0.9Th0.1 at ambient pressure , 2003 .
[163] Richard M. Martin,et al. Kondo Volume Collapse and the γ-->α Transition in Cerium , 1982 .
[164] A. Grimberg,et al. The magnetic and electrical properties of pure α-cerium at atmospheric pressure , 1972 .
[165] D. Pines. A Collective Description of-Electron Interactions: III. Coulomb Interactions in a Degenerate Electron Gas , 1953 .
[166] Svane. Electronic structure of cerium in the self-interaction corrected local spin density approximation. , 1994, Physical review letters.
[167] F. Murnaghan. The Compressibility of Media under Extreme Pressures. , 1944, Proceedings of the National Academy of Sciences of the United States of America.
[168] A. Tkatchenko,et al. Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and GW with numeric atom-centered orbital basis functions , 2012, 1201.0655.
[169] H. Fröhlich,et al. Plasma Oscillations and Energy Loss of Charged Particles in Solids , 1955 .
[170] J. Hubbard. Electron correlations in narrow energy bands , 1963, Proceedings of the Royal Society of London. Series A. Mathematical and Physical Sciences.
[171] David Pines,et al. A Collective Description of Electron Interactions. I. Magnetic Interactions , 1951 .
[172] Thadeu Josino Pereira Penna,et al. Fitting curves by simulated annealing , 1995 .
[173] J. Hubbard. The Dielectric Theory of Electronic Interactions in Solids , 1955 .
[174] Baer,et al. Comment on "Temperature-invariant photoelectron spectra in cerium heavy-fermion compounds: Inconsistencies with the Kondo model" , 1993, Physical review letters.
[175] J F Dobson,et al. Cohesive properties and asymptotics of the dispersion interaction in graphite by the random phase approximation. , 2010, Physical review letters.
[176] M. Lavagna,et al. Volume collapse in the Kondo lattice , 1982 .
[177] Alexandre Tkatchenko,et al. Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations. , 2010, Physical review letters.
[178] A. Nikolaev. Low-lying energy spectrum of the cerium dimer , 2011, 1105.4415.
[179] R. Jullien,et al. Resistivity of nearly magnetic metals at high temperatures: Application to neptunium and plutonium , 1974 .
[180] Y. Baer,et al. X-ray photoemission study of the outermost levels of the rare earth metals , 1974 .
[181] B. Coqblin,et al. Stabilité des Moments Magnétiques Localisés dans les Métaux , 1968 .
[182] R. Scalettar,et al. Realistic investigations of correlated electron systems with LDA + DMFT , 2006 .
[183] E. Wang,et al. Adsorption and diffusion of water on graphene from first principles , 2011 .
[184] J. Taylor,et al. Magnetic form factor of alpha-Ce: towards understanding the magnetism of cerium. , 2005, Physical review letters.
[185] K. Syassen,et al. Compression of lanthanum to 120 kbar , 1975 .
[186] K. Gschneidner,et al. Heat capacity and magnetic susceptibility of single-phase $alpha$-cerium , 1975 .
[187] Wang,et al. Accurate and simple analytic representation of the electron-gas correlation energy. , 1992, Physical review. B, Condensed matter.
[188] S. Tomonaga. Elementary Theory of Quantum-Mechanical Collective Motion of Particles, II , 1955 .
[189] Georg Kresse,et al. Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory , 2008 .
[190] Stefano de Gironcoli,et al. Efficient calculation of exact exchange and RPA correlation energies in the adiabatic-connection fluctuation-dissipation theory , 2009, 0902.0889.
[191] J. Lægsgaard,et al. Theory of the α-γ phase transition in Ce , 1999 .
[192] M. Head‐Gordon,et al. Locating multiple self-consistent field solutions: an approach inspired by metadynamics. , 2008, Physical review letters.
[193] Y. Vohra,et al. Structural Phase Transitions in Yttrium under Pressure , 1981 .
[194] L. Curtiss,et al. Gaussian‐1 theory: A general procedure for prediction of molecular energies , 1989 .
[195] Gustavo E Scuseria,et al. Theoretical study of CeO2 and Ce2O3 using a screened hybrid density functional. , 2006, The Journal of chemical physics.
[196] A. Tkatchenko,et al. Benzene adsorbed on Si(001): The role of electron correlation and finite temperature , 2012 .
[197] V. L. Sedov,et al. Localized magnetic states in metals , 1982 .
[198] Y. Baer,et al. X-Ray Photoemission Study of Some Light Rare-Earth Metals , 1973 .
[199] K. Capelle,et al. A bird's-eye view of density-functional theory , 2002 .
[200] Bartlett,et al. Temperature-invariant photoelectron spectra in cerium heavy-fermion compounds: Inconsistencies with the Kondo model. , 1992, Physical review letters.
[201] E. Müller-Hartmann. The Hubbard model at high dimensions: some exact results and weak coupling theory , 1989 .
[202] D. Farber,et al. Diffusionless γ⇄α phase transition in polycrystalline and single-crystal cerium. , 2011, Physical review letters.
[203] Long-Qing Chen,et al. Thermodynamics of the Ce ?a transition: Density-functional study , 2008 .
[204] C. Tsallis,et al. Geometry optimization and conformational analysis through generalized simulated annealing , 1998 .
[205] Juan E Peralta,et al. All-Electron Hybrid Density Functional Calculations on UFn and UCln (n = 1-6). , 2005, Journal of chemical theory and computation.
[206] M. Richter,et al. Surface electronic structure of epitaxial Ce and La films , 1998 .
[207] Georges,et al. Hubbard model in infinite dimensions. , 1992, Physical review. B, Condensed matter.
[208] M. Scheffler,et al. Towards an exact treatment of exchange and correlation in materials: application to the "CO adsorption puzzle" and other systems. , 2007, Physical review letters.
[209] G. Kerker. Efficient iteration scheme for self-consistent pseudopotential calculations , 1981 .