COMPARISON OF CLASSICAL AND QUANTUM-MECHANICAL CALCULATIONS OF VIBRATIONAL ENERGY-TRANSFER .3. USE OF THE FORCED QUANTUM OSCILLATOR AND MOMENT METHODS FOR QUANTIZATION OF PRODUCT STATE DISTRIBUTIONS

被引:16
作者
GORDON, RJ
机构
[1] Department of Chemistry, University of Illinois at Chicago Circle, Chicago
关键词
D O I
10.1063/1.438256
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
Vibrational transition probabilities calculated using the semiclassical forced quantum oscillator model and the information theoretic moment method were compared with exact quantal results in two model systems. In both cases the moment method was generally more accurate. Under conditions leading to a large distortion of the molecular force constant, the forced oscillator model was found to be in significant error. At low collision energies with two or three open states the moment method was inaccurate, and the forced oscillator model is preferred. © 1979 American Institute of Physics.
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页码:4720 / 4725
页数:6
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