Simplified time-dependent self-consistent field approximation for intramolecular dynamics

R. B. Gerber*, M. A. Ratner, V. Buch

*Corresponding author for this work

Research output: Contribution to journalArticle

58 Scopus citations

Abstract

The time-dependent Hartree approximation is applied to intramolecular dynamics of polyatomics with smooth, locally quadratic potential surfaces. It is shown that the full quantum solution is obtained from a certain single self-consistent trajectory. An extremely simple model results, pertinent to intramolecular energy transfer, vibrational lineshapes and unimolecular decay.

Original languageEnglish (US)
Pages (from-to)173-177
Number of pages5
JournalChemical Physics Letters
Volume91
Issue number3
DOIs
StatePublished - Sep 10 1982

ASJC Scopus subject areas

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

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