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TIME-DEPENDENT WAVEPACKET METHODS FOR THE CALCULATION OF COLLINEAR ATOM DIATOM EXCHANGE-REACTION PROBABILITIES

被引：18
作者：
BALAKRISHNAN, N
SATHYAMURTHY, N
机构：
[1] Department of Chemistry, Indian Institute of Technology, Kanpur
来源：
COMPUTER PHYSICS COMMUNICATIONS | 1991年 / 63卷 / 1-3期
关键词：
D O I：
10.1016/0010-4655(91)90250-O
中图分类号：
TP39 [计算机的应用];
学科分类号：
081203 ; 0835 ;
摘要：
Different strategies available for extracting the translational energy dependence of state-selected reaction probabilities for a collinear atom-diatom exchange reaction are reviewed and the usefulness of some of them is examined using collinear He + H2+ (v(i) = 0) --> HeH+ + H as a test case.
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页码：209 / 215
页数：7
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