QUANTUM-MECHANICAL CALCULATIONS OF COLLINEAR REACTIVE COLLISIONS AT ENERGIES ABOVE THE DISSOCIATION THRESHOLD - A DISCRETE-VARIABLE REPRESENTATION APPROACH

被引：19

作者：

SAKIMOTO, K ^{[1
]}

ONDA, K ^{[1
]}

机构：

[1] SCI UNIV TOKYO,FAC IND SCI & TECHNOL,HOKKAIDO 04935,JAPAN

来源：

JOURNAL OF CHEMICAL PHYSICS | 1994年 / 100卷 / 02期

关键词：

D O I：

10.1063/1.466647

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：

A time-independent method which does not rely on a close-coupling approach has been developed for quantum mechanical reactive/dissociative collisions of collinear atom-diatom systems. The Schrodinger equation represented in hyperspherical coordinates is solved by means of a discrete variable representation. The results for a model H + HD system are compared with those obtained by the time-dependent wave-packet propagation calculation of Leforestier. The present method is powerful for the study of reactive collisions at energies above the dissociation threshold.

引用

页码：1171 / 1178

页数：8

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