NONADIABATIC TRANSITIONS IN THE PHOTODISSOCIATION OF HCL

被引：34
|
作者：
GERSONDE, IH
HENNIG, S
GABRIEL, H
机构：
[1] Institut für Theoretische Physik, Freie Universität Berlin, D 14195 Berlin
来源：
JOURNAL OF CHEMICAL PHYSICS | 1994年 / 101卷 / 11期
关键词：
D O I：
10.1063/1.467987
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：
Nonadiabatic dynamics accompanying the photodissociation of HCl via excitation X 1Σ+→A 1Π have been investigated. The energy-dependent branching ratio 2P 1/2/2P3/2 of the Cl fragment resulting from the "exact" numerical solution of the time-dependent nuclear Schrödinger equation is compared to the branching ratio gained from a classical-path ansatz. Different sets of potential energy functions taken from previous investigations are used. It is shown that discrepancies between the results of two recent papers are due to substantial differences concerning the nonadiabatic transition moments between the corresponding potential functions. © 1994 American Institute of Physics.
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收藏
页码：9558 / 9564
页数：7
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