QUANTUM SCATTERING ON THE SIGMA-PI INTERSECTION OF POTENTIAL-ENERGY SURFACES

被引:3
作者
OSHEROV, VI
POLUYANOV, LV
USHAKOV, VG
VORONIN, AI
机构
[1] Russian Academy of Sciences, Institute of Chemical Physics, Chernogolovka
关键词
D O I
10.1016/0301-0104(94)00079-4
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
Quantum nonadiabatic scattering on three potential energy surfaces characterized by a single intersection point of the conic type is considered. The angular distribution of the products and cross section energy dependences for the different channels are calculated. The results are compared with those calculated by the trajectory surface hopping method. It is shown that for high nonresonant energies the trajectory surface hopping method does not give a quantitative and for resonant energies not even a qualitative description of the angular distribution.
引用
收藏
页码:123 / 128
页数:6
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