From the coherent state path integral to a semiclassical initial value representation of the quantum mechanical propagator

被引:67
作者
Grossmann, F [1 ]
Xavier, AL [1 ]
机构
[1] Univ Freiburg, Fak Phys, D-79104 Freiburg, Germany
基金
巴西圣保罗研究基金会;
关键词
D O I
10.1016/S0375-9601(98)00265-5
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We give a derivation of the semiclassical propagator of Herman and Kluk (HK) which is based on the coherent state path integral technique. Our procedure unveils how the complex root-search problem underlying the semiclassical coherent state path integral turns into a real initial value problem and provides an explanation for the advantages of the HK expression which is used frequently in molecular applications. (C) 1998 Elsevier Science B.V.
引用
收藏
页码:243 / 248
页数:6
相关论文
共 28 条
[1]   Semiclassical dynamics in up to 15 coupled vibrational degrees of freedom [J].
Brewer, ML ;
Hulme, JS ;
Manolopoulos, DE .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (12) :4832-4839
[2]   SEMICLASSICAL PROPAGATION - PHASE INDEXES AND THE INITIAL-VALUE FORMALISM [J].
CAMPOLIETI, G ;
BRUMER, P .
PHYSICAL REVIEW A, 1994, 50 (02) :997-1018
[3]  
DEAGUIAR MAM, UNPUB
[4]   Wave packet correlation function approach to H-2(upsilon)+H->H+H-2(upsilon'): Semiclassical implementation [J].
Garashchuk, S ;
Tannor, D .
CHEMICAL PHYSICS LETTERS, 1996, 262 (3-4) :477-485
[5]   A SEMICLASSICAL CORRELATION-FUNCTION APPROACH TO BARRIER TUNNELING [J].
GROSSMANN, F ;
HELLER, EJ .
CHEMICAL PHYSICS LETTERS, 1995, 241 (1-2) :45-50
[6]   Time-dependent semiclassical calculation of resonance lifetimes [J].
Grossmann, F .
CHEMICAL PHYSICS LETTERS, 1996, 262 (3-4) :470-476
[7]   PHASE-INTEGRAL APPROXIMATION IN MOMENTUM SPACE AND BOUND STATES OF AN ATOM [J].
GUTZWILLER, MC .
JOURNAL OF MATHEMATICAL PHYSICS, 1967, 8 (10) :1979-+
[8]   CELLULAR-DYNAMICS - A NEW SEMICLASSICAL APPROACH TO TIME-DEPENDENT QUANTUM-MECHANICS [J].
HELLER, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1991, 94 (04) :2723-2729
[9]   FROZEN GAUSSIANS - A VERY SIMPLE SEMI-CLASSICAL APPROXIMATION [J].
HELLER, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (06) :2923-2931
[10]   GENERALIZED THEORY OF SEMICLASSICAL AMPLITUDES [J].
HELLER, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (12) :5777-5785