INTEGRAL TOTAL REACTIVE CROSS-SECTION CALCULATIONS WITHIN THE INFINITE-ORDER SUDDEN APPROXIMATION

被引:33
作者
BAER, M
KHARE, V
KOURI, DJ
机构
[1] Department of Theoretical Physics and Applied Mathematics, Soreq Nuclear Research Centre, Yavne
[2] Department of Chemical Physics, Weizmann Institute, Rehovot
[3] Departments of Chemistry and Physics, University of Houston, Houston
关键词
D O I
10.1016/0009-2614(79)87220-6
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 initiafl l-labelled reactive infinite order sudden (IOS) approximation as formulated recently by Khare et al. is used to calculate integral total cross sections for the H + H2 reaction. Results are given over the energy range 0.5 to 1.0 eV. Comparisons with accurate converged close coupling (CC) and classical results are made and good agreement is obtained. The method should be useful in the theoretical analysis of experiments. © 1979.
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页码:378 / 381
页数:4
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