A quantum symmetry preserving semiclassical method

被引:16
作者
Babikov, D [1 ]
Walker, RB [1 ]
Pack, RT [1 ]
机构
[1] Los Alamos Natl Lab, Div Theoret, Theoret Chem & Mol Phys Grp, Los Alamos, NM 87545 USA
关键词
D O I
10.1063/1.1513457
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
Symmetry constraints are built into a semiclassical propagation scheme. It is then applied to treat H+Ne-2 collisions at 30 K, where quantum selection rules restrict the final rotational states of symmetric Ne-2 molecules to the even manifold. The cross sections for state-to-state transitions are calculated for symmetric and nonsymmetric isotopic compositions of Ne-2. All bound and long-lived quasibound (trapped behind the centrifugal barrier) states of Ne-2 are considered. This semiclassical method captures symmetry effects and shows satisfactory agreement with the quantum results. (C) 2002 American Institute of Physics.
引用
收藏
页码:8613 / 8622
页数:10
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