A log-derivative formulation of the prefactor for the semiclassical Herman-Kluk propagator

被引:54
|
作者
Gelabert, R [1 ]
Giménez, X [1 ]
Thoss, M [1 ]
Wang, HB [1 ]
Miller, WH [1 ]
机构
[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY A | 2000年 / 104卷 / 45期
关键词
D O I
10.1021/jp0012451
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
A log-derivative formulation of the prefactor term appearing in the semiclassical Herman-Kluk propagator is presented. The resulting new expression is found in practice to avoid the branch cut problem which has hampered previous formulations. The enhanced performance of the log-derivative version of the prefactor has been confirmed by testing it on several one- and two-dimensional model problems. This log-derivative algorithm is also incorporated in the forward-backward initial value representation and applied to a model of the double-slit diffraction problem.
引用
收藏
页码:10321 / 10327
页数:7
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