Ab initio calculation of the electronic structure of thallous halides. I. Ground state: Static structural properties
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[1] M. Schreiber,et al. Ab initio calculation of the electronic structure of thallous halides. II. One-particle states: Wannier functions, band structures, and densities of states , 1984 .
[2] P. Kelly,et al. On the cohesive energy and charge density of uranium dioxide , 1983 .
[3] Marvin L. Cohen,et al. THEORY OF STATIC STRUCTURAL PROPERTIES, CRYSTAL STABILITY, AND PHASE TRANSFORMATIONS: APPLICATION TO Si AND Ge , 1982 .
[4] M. Schlüter,et al. Ab initiopseudopotential description of cohesion in NaCl , 1982 .
[5] Hermann Stoll,et al. Electron correlations in the ground state of diamond , 1982 .
[6] D. Hamann,et al. Total-energy calculations for Si with a first-principles linear-combination-of-atomic-orbitals method , 1982 .
[7] J. Joannopoulos,et al. Ground-state properties of GaAs and AlAs , 1981 .
[8] M. Schlüter,et al. Structural-energy calculations based on norm-conserving pseudopotentials and localized Gaussian orbitals , 1981 .
[9] R. Gordon,et al. Density-functional theory for the energy of covalent crystals , 1981 .
[10] Roy G. Gordon,et al. Density-functional theory for the energy of crystals: Test of the ionic model , 1981 .
[11] A. Zunger. Ground-state properties of crysta11ine silicon in a density- functional pseudopotential approach , 1980 .
[12] M. Schreiber,et al. Ab initio self-consistent calculation of ground-state properties, Wannier functions and electronic structure of TlCl , 1980 .
[13] K. Morokuma,et al. Total energies of molecules with the local density functional approximation and gaussian basis sets , 1979 .
[14] J. Vergés,et al. Ab initio self-consistent calculation of silicon electronic structure by means of Wannier functions , 1979 .
[15] Alex Zunger,et al. First-principles nonlocal-pseudopotential approach in the density-functional formalism: Development and application to atoms , 1978 .
[16] K. Schwarz. Instability of stable negative ions in the Xα method or other local density functional schemes , 1978 .
[17] A. Basu,et al. Interatomic interactions and the lattice statics and dynamics of TlBr crystals for both CsCl and NaCl phases , 1978 .
[18] A. Zunger,et al. Ab initio self-consistent study of the electronic structure and properties of cubic boron nitride , 1978 .
[19] A. Zunger,et al. Ground- and excited-state properties of LiF in the local-density formalism , 1977 .
[20] A. Zunger,et al. Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals investigation of the electronic structure and properties of TiS2 , 1977 .
[21] Alex Zunger,et al. Self-consistent numerical-basis-set linear-combination-of-atomic-orbitals model for the study of solids in the local density formalism , 1977 .
[22] A. Basu,et al. Deformable shell-model calculation of the lattice statics and dynamics of the CsBr crystal , 1976 .
[23] A. Zunger. Band structure of the one-dimensional metallic (SN) x crystal , 1975 .
[24] G. Samara,et al. Thallous halides: pressure dependence of the energy-band structure and the insulator--metal transition , 1975 .
[25] B. Lundqvist,et al. Contribution to the cohesive energy of simple metals: Spin-dependent effect , 1974 .
[26] G. G. Wepfer,et al. Hartree-Fock calculations for crystalline Ne and LiF , 1974 .
[27] R. N. Euwema,et al. Hartree-Fock Lattice Constant and Bulk Modulus of Diamond , 1973 .
[28] W. Kohn. Construction of Wannier Functions and Applications to Energy Bands , 1973 .
[29] Joseph Callaway,et al. Inhomogeneous Electron Gas , 1973 .
[30] M. Okazaki,et al. Band Structure of TlCl by Heine-Abarenkov Model Potential Method , 1971 .
[31] Lars Hedin,et al. Explicit local exchange-correlation potentials , 1971 .
[32] E. Lafon,et al. Application of the Method of Tight Binding to the Calculation of the Energy Band Structures of Diamond, Silicon, and Sodium Crystals , 1971 .
[33] G. Samara. Temperature and Pressure Dependence of the Dielectric Constants of the Thallous Halides , 1968 .
[34] E. Lafon,et al. Energy Band Structure of Lithium by the Tight-Binding Method , 1966 .
[35] S. Hafner. Chemical shift of Tl205 and degree of covalency in thallous halide cesium halide solid solutions , 1966 .
[36] Yushiro Saito. Nuclear Magnetic Resonance in Thallium Halides , 1966 .
[37] W. Kohn,et al. Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .
[38] J. Mayer. The Lattice Energies of the Silver and Thallium Halides , 1933 .
[39] A. Zunger,et al. Local-density self-consistent energy-band structure of cubic CdS , 1978 .
[40] A. Zunger,et al. Ground-state electronic properties of diamond in the local-density formalism , 1977 .
[41] J. Treusch,et al. The energy bands of thallous chloride and bromide , 1971 .
[42] W. Ritz. Über eine neue Methode zur Lösung gewisser Variationsprobleme der mathematischen Physik. , 1909 .