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

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

^*Corresponding author for this work

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

62 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 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
State	Published - 10 Sep 1982
Externally published	Yes

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title = "Simplified time-dependent self-consistent field approximation for intramolecular dynamics",

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.",

author = "Gerber, \{R. B.\} and Ratner, \{M. A.\} and V. Buch",

year = "1982",

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AU - Gerber, R. B.

AU - Ratner, M. A.

AU - Buch, V.

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Y1 - 1982/9/10

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0002008034

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JO - Chemical Physics Letters

JF - Chemical Physics Letters

IS - 3

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

Abstract

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