QUANTUM CLASSICAL REACTION-PATH MODEL FOR CHEMICAL-REACTIONS .5. RELATION TO TRANSITION-STATE THEORY

被引：18

作者：

BILLING, GD

机构：

[1] Department of Chemistry, H. C. Ørsted Institute, University of Copenhagen, Copenhagen

来源：

CHEMICAL PHYSICS | 1992年 / 161卷 / 1-2期

关键词：

D O I：

10.1016/0301-0104(92)80191-W

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：

We have considered the introduction of a statistical factor which connects the reaction-path Hamiltonian to the variational transition state approach. Furthermore, the tunneling problem has been investigated in more detail by using a wavepacket approach rather than the WKB tunneling factor.

引用

页码：245 / 255

页数：11

共 23 条

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