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Perturbation theory of the electron correlation cusp based on a partitioning of the electron-electron interaction into long- and short-range components

  • SUNY Buffalo

Research output: Contribution to journalArticlepeer-review

13 Scopus citations

Abstract

A method to treat the electron correlation cusp by perturbation theory with the perturbation taken to be the short-range component of the electron-electron interaction is presented. This method is promising for the computation of highly accurate potential energy surfaces for open-shell molecular systems small enough to avoid size consistency effects.

Original languageEnglish
Pages (from-to)6411-6416
Number of pages6
JournalJournal of Chemical Physics
Volume117
Issue number14
DOIs
StatePublished - Oct 8 2002

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