Fast quantum, semiclassical and classical dynamics near the conical intersection

被引:34
作者
Alijah, A [1 ]
Nikitin, EE
机构
[1] Univ Bielefeld, Fak Chem, D-33615 Bielefeld, Germany
[2] Technion Israel Inst Technol, Dept Chem, IL-32000 Haifa, Israel
关键词
D O I
10.1080/00268979909483084
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
The dynamics of wavepacket propagation on a double circular 2-dimensional cone has been studied. The fast transition of the wavepacket from the conical well onto the conical peak is interpreted in terms of the semiclassical picture which uses the notion of the transition probability in the region of closest approach of the packet to the apex of the cone. It is shown that a simple surface hopping approximation predicts correctly the decay probability over times longer than the period of motion in the conical well.
引用
收藏
页码:1399 / 1410
页数:12
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