LI+FH REACTIVE CROSS-SECTIONS FROM J=0 ACCURATE QUANTUM REACTIVITY

被引:25
作者
LAGANA, A
PACK, RT
PARKER, GA
机构
[1] LOS ALAMOS NATL LAB,DIV THEORET T12,LOS ALAMOS,NM 87545
[2] UNIV OKLAHOMA,DEPT PHYS & ASTRON,NORMAN,OK 73019
关键词
D O I
10.1063/1.465238
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
Accurate three dimensional quantum calculations have been carried out for the Li+HF reaction at zero total angular momentum J on a potential energy surface fitted to ab initio points. By adopting a J shifting approximation reactive cross sections are estimated and compared with the experiment. The agreement is very good.
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页码:2269 / 2270
页数:2
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