Exact quantum mechanical vibrational kinetic energy operator of sequentially bonded molecules in valence internal coordinates

Attila G. Császár, Nicholas C. Handy

Research output: Contribution to journalArticle

34 Citations (Scopus)

Abstract

The full nonrelativistic quantum mechanical vibrational (J=0) kinetic energy operator for sequentially bonded N-atom molecules, expressed in valence stretch, bend, and torsion internal coordinates, is explicitly given. Certain properties of the operator and its possible applications are discussed.

Original languageEnglish
Pages (from-to)3962-3967
Number of pages6
JournalThe Journal of Chemical Physics
Volume102
Issue number10
DOIs
Publication statusPublished - Jan 1 1995

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ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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