On the relation between the semiclassical initial value representation and an exact quantum expansion in time-dependent coherent states

被引:39
|
作者
Miller, WH [1 ]
机构
[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
[2] Univ Calif Berkeley, Kenneth S Pitzer Ctr Theoret Chem, Berkeley, CA 94720 USA
[3] Lawrence Berkeley Natl Lab, Div Chem Sci, Berkeley, CA 94720 USA
来源
JOURNAL OF PHYSICAL CHEMISTRY B | 2002年 / 106卷 / 33期
关键词
D O I
10.1021/jp020500+
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
The Herman-Kluk (HK) or coherent state initial value representation (IVR) of semiclassical (SC) theory expresses a time-evolving wave function as a sum (integral) over the initial conditions of classically evolved coherent states (aka minimum uncertainty wave packets). An exact expansion of the wave function can also be made in terms of these same coherent states, thinking of them simply as a (time-dependent) basis set. This paper shows the precise set of approximations that are necessary to degenerate the exact expansion into the SC-IVR result. As a byproduct, we also obtain a generalization of the HK "prefactor".
引用
收藏
页码:8132 / 8135
页数:4
相关论文
共 50 条