The Herman-Kluk approximation: Derivation and semiclassical corrections

被引:99
|
作者
Kay, KG [1 ]
机构
[1] Bar Ilan Univ, Dept Chem, IL-52900 Ramat Gan, Israel
基金
以色列科学基金会;
关键词
Herman-Kluk theory; semiclassical approximations; time-dependent propagator;
D O I
10.1016/j.chemphys.2005.06.019
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) approximation for the propagator is derived semiclassically for a multidimensional system as an asymptotic solution of the Schrodinger equation. The propagator is obtained in the form of an expansion in h, in which the lowest-order term is the HK formula. Thus, the result extends the HK approximation to higher orders in h. Examination of the various terms shows that the expansion is a uniform asymptotic series and establishes the HK formula as a uniform semiclassical approximation. Successive terms in the series should allow one to improve the accuracy of the HK approximation for small h in a systematic and purely semiclassical manner, analogous to a higher-order WKB treatment of time-independent wave functions. (c) 2005 Elsevier B.V. All rights reserved.
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页码:3 / 12
页数:10
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