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).

O.V. Gritsenko, R. van Leeuwen, E.J. Baerends

Research output: Contribution to JournalArticleAcademicpeer-review

307 Downloads (Pure)
Original languageEnglish
Pages (from-to)8535-8545
JournalJournal of Chemical Physics
Volume104
DOIs
Publication statusPublished - 1996

Cite this