Semiclassical theory of multi-channel curve crossing problems: Landau-Zener case

被引:67
作者
Zhu, CY
Nakamura, H
机构
[1] Division of Theoretical Studies, Institute for Molecular Science, Myodaiji
关键词
D O I
10.1063/1.473364
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 two-by-two diabatic propagation method is developed to deal with general one-dimensional multi-channel curve crossing problems. Each crossing is treated within the newly completed two-state semiclassical theory in the diabatic representation and is represented by a nonadiabatic transition matrix (I-matrix). A product of all the I-matrices yields the reduced scattering matrix for the entire system. This theory can handle the multi-channel curve crossing problems as simply as a two-state problem. An analysis of the complex crossing points in the momentum space can provide a comprehensive illustrative criterion of this method. A detailed severe numerical test is made by taking a seven-state system with 6 and 12 nonzero diabatic couplings. It is demonstrated that dominant processes among the state-to-state transitions are well reproduced by the present semiclassical theory. (C) 1997 American Institute of Physics.
引用
收藏
页码:2599 / 2611
页数:13
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