共 50 条
- [42] EXCHANGE ENERGY AS FUNCTIONAL OF ELECTRONIC DENSITY FROM HARTREE-FOCK THEORY OF INHOMOGENEOUS ELECTRON GASPROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1971, 326 (1564): : 97 - &BEATTIE, AMSTODDART, JCMARCH, NH
- [43] Electron densities of several small molecules as calculated from density functional theoryJOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (15): : 6317 - 6324Wang, JJohnson, BGBoyd, RJEriksson, LA
- [44] Conceptual Problem with Calculating Electron Densities in Finite Basis Density Functional TheoryJOURNAL OF CHEMICAL THEORY AND COMPUTATION, 2017, 13 (09) : 3961 - 3963Mayer, IstvanPapai, ImreBako, ImreNagy, Agnes
- [45] Electron densities of homonuclear diatomic molecules as calculated from density functional theoryJOURNAL OF PHYSICAL CHEMISTRY, 1996, 100 (13): : 5274 - 5280Wang, JEriksson, LAJohnson, BGBoyd, RJ
- [46] Electron density and energy density view on the atomic interactions in SrTiO3ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 2002, 58 (04): : 567 - 575Zhurova, EATsirelson, VG
- [47] Density Functional Theory of Atomic Structure. I. Exchange and Correlation Potentials for Two-Electron AtomsINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1979, 16 : 103 - 110Smith, Darwin W.Jagannathan, SalemHandler, George S.
- [48] Introducing a new exchange functional by altering the electron density’s ionization dependency in density functional theoryScientific Reports, 14E. RahmatpourA. Esmaeili
- [50] Numerical integration of atomic electron density with double exponential formula for density functional calculationTHEORETICAL CHEMISTRY ACCOUNTS, 2012, 131 (03) : 1 - 15Mitani, MasakiYoshioka, Yasunori
