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

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

doi:10.1016/0009-2614(82)83635-X

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

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

Northwestern University

Research output: Contribution to journal › Article › peer-review

58 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 language	English
Pages (from-to)	173-177
Number of pages	5
Journal	Chemical Physics Letters
Volume	91
Issue number	3
DOIs	https://doi.org/10.1016/0009-2614(82)83635-X
Publication status	Published - Sep 10 1982

ASJC Scopus subject areas

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

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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.",

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