A new all-round density functional based on spin states and S(N)2 barriers

M. Swart, M. Sola, F.M. Bickelhaupt

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Abstract

We report here a new empirical density functional that is constructed based on the performance of OPBE and PBE for spin states and S
Original languageEnglish
Pages (from-to)094103
JournalJournal of Chemical Physics
Volume131
Issue number9
DOIs
Publication statusPublished - 2009

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