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

R. B. Gerber, Mark A Ratner, V. Buch

Research output: Contribution to journalArticle

57 Citations (Scopus)

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
Pages (from-to)173-177
Number of pages5
JournalChemical Physics Letters
Volume91
Issue number3
DOIs
Publication statusPublished - Sep 10 1982

Fingerprint

Hartree approximation
Energy transfer
self consistent fields
energy transfer
Trajectories
trajectories
decay
approximation

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Condensed Matter Physics
  • Atomic and Molecular Physics, and Optics
  • Surfaces and Interfaces

Cite this

Simplified time-dependent self-consistent field approximation for intramolecular dynamics. / Gerber, R. B.; Ratner, Mark A; Buch, V.

In: Chemical Physics Letters, Vol. 91, No. 3, 10.09.1982, p. 173-177.

Research output: Contribution to journalArticle

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