Channel-dependent complex absorbing potential for multi-channel scattering

被引：10

作者：

Ge, JY ^{[1
]}

Zhang, JZH ^{[1
]}

机构：

[1] NYU, Dept Chem, New York, NY 10003 USA

来源：

CHEMICAL PHYSICS LETTERS | 1998年 / 292卷 / 1-2期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S0009-2614(98)00637-X

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：

An early study (J. Chem. Phys. 108 (1998) 1429) showed that the use of complex absorbing potential (CAP) can significantly reduce the reflection of wavefunction from the absorbing boundary over the standard negative imaginary potential, especially at low kinetic energies. In the present work, we further extend the use of CAP to multi-channel scattering by employing channel-dependent CAPs. Each of these CAPs is optimized for a specific open channel using an efficient time-independent propagation approach. Application to the prototype inelastic scattering of He + H-2 demonstrated the accuracy and efficiency of the channel-dependent CAP for extracting state-to-state scattering information. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：51 / 56

页数：6

共 12 条

[1] ANALYSIS OF A COMPLEX ABSORBING BARRIER [J].