Molecular exchange‐correlation Kohn–Sham potential and energy density from ab initio first‐ and second‐order density matrices: Examples for XH (X=Li, B, F)-Reference-Cited by-同舟云学术

Molecular exchange‐correlation Kohn–Sham potential and energy density from ab initio first‐ and second‐order density matrices: Examples for XH (X=Li, B, F)

Published:1996-06 Issue:21 Volume:104 Page:8535-8545
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Gritsenko Oleg V.,Leeuwen Robert van,Baerends Evert Jan

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.471602

Reference40 articles.

1. Density-functional exchange-correlation potentials and orbital eigenvalues for light atoms

2. Effective potentials in density-functional theory

3. One-body potential theory in terms of the phase of wave functions for the ground state of the Be atom

4. Energy differences between Kohn-Sham and Hartree-Fock wave functions yielding the same electron density

5. Construction of exact Kohn-Sham orbitals from a given electron density

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