REACTIVE SCATTERING WITH ABSORBING POTENTIALS IN GENERAL COORDINATE SYSTEMS

被引：39

作者：

NEUHAUSER, D

机构：

[1] Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 90024

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 200卷 / 1-2期

关键词：

D O I：

10.1016/0009-2614(92)87064-V

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：

Two developments are reported. First we show how to formulate time- dependent reactive scattering in general coordinate systems while utilizing small grids. We then present a single general coordinate flux-integral that yields automatically reaction amplitudes with negligible storage costs, in both the wavepacket approach and the absorbing-potential time-independent scattering formalism. The two developments are expected to enhance the power of modem single-arrangement approaches to multi-arrangement scattering.

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页码：173 / 178

页数：6

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