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 | |
| Publication status | Published - Sep 10 1982 |
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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 journal › Article
}
TY - JOUR
T1 - Simplified time-dependent self-consistent field approximation for intramolecular dynamics
AU - Gerber, R. B.
AU - Ratner, Mark A
AU - Buch, V.
PY - 1982/9/10
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.
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U2 - 10.1016/0009-2614(82)83635-X
DO - 10.1016/0009-2614(82)83635-X
M3 - Article
VL - 91
SP - 173
EP - 177
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 3
ER -