Extraction of resonances via wave packet propagation in Chebyshev order domain: Collinear H+H-2 scattering

被引:40
作者
Chen, RQ
Guo, H
机构
[1] Department of Chemistry, University of Toledo, Toledo
基金
美国国家科学基金会;
关键词
D O I
10.1016/0009-2614(96)01022-6
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
We show that resonance positions can be determined by propagating a wave packet in the order domain of the Chebyshev operator. The Hermitian Hamiltonian is used in the Chebyshev propagation so that the instability associated with a complex Chebyshev operator is avoided. The outgoing boundary conditions are imposed in a window function in the Chebyshev order domain, which allows accurate determination of the resonance positions. A numerical example is given for the collinear scattering of H + H-2. The relationship of the present approach with existing methods is also explored.
引用
收藏
页码:605 / 611
页数:7
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