Theoretical studies of chemical dynamics: Overview of some fundamental mechanisms

被引:31
作者
Nakamura, H
机构
[1] Department of Theoretical Studies, Institute for Molecular Science, Myodaiji
关键词
chemical reaction; nonadiabatic transition; superexcited state; multidimensional tunneling;
D O I
10.1146/annurev.physchem.48.1.299
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
Recent remarkable progress in theoretical studies of (a) quantum dynamics of chemical reactions, (b) characteristics and dynamics of superexcited states of molecules, (c) nonadiabatic transitions at potential curve crossings, and (d) multidimensional tunneling is reviewed briefly. Underlying common basic concepts and fundamental mechanisms such as adiabaticity and nonadiabatic transition are extracted and discussed in order to facilitate a comprehensive understanding of chemical dynamics. Not only the basic theoretical methodologies but also the intriguing dynamical aspects of each subject are explained as simply as possible.
引用
收藏
页码:299 / 328
页数:30
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