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

A. 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
Publication statusPublished - 1995

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Kinetic energy
Torsional stress
kinetic energy
valence
operators
Atoms
Molecules
torsion
molecules
atoms

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

Exact quantum mechanical vibrational kinetic energy operator of sequentially bonded molecules in valence internal coordinates. / Császár, A.; Handy, Nicholas C.

In: The Journal of Chemical Physics, Vol. 102, No. 10, 1995, p. 3962-3967.

Research output: Contribution to journalArticle

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