Benchmark calculations of chemical reactions in density functional theory: comparison of the accurate Kohn-Sham solution with generalized gradient approximations for the H2+H and H2+H2 reactions.

P.R.T. Schipper, O.V. Gritsenko, E.J. Baerends

Research output: Contribution to JournalArticleAcademicpeer-review

190 Downloads (Pure)
Original languageEnglish
Pages (from-to)4056-4067
JournalJournal of Chemical Physics
Publication statusPublished - 1999

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