A Natural Orbital Analysis of the Long Range Behavior of Chemical Bonding and van der Waals Interaction in Singlet H2: The Issue of Zero Natural Orbital Occupation Numbers

X.W. Sheng, L.M. Mentel, O.V. Gritsenko, E.J. Baerends

Research output: Contribution to JournalArticleAcademicpeer-review

Abstract

This paper gives a natural orbital (NO) based analysis of the van der Waals interaction in (singlet) H
Original languageEnglish
Pages (from-to)164105-1-11
JournalJournal of Chemical Physics
Volume2013
Issue number138
DOIs
Publication statusPublished - 2013

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