Semiclassical description of quantum coherence effects and their quenching:: A forward-backward initial value representation study

被引:116
作者
Wang, HB [1 ]
Thoss, M
Sorge, KL
Gelabert, R
Giménez, X
Miller, WH
机构
[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA
[2] Univ Calif Berkeley, Lawrence Berkeley Lab, Div Chem Sci, Berkeley, CA 94720 USA
关键词
D O I
10.1063/1.1337802
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 forward-backward (FB) version of the semiclassical (SC) initial value representation (IVR) is used to study quantum coherence effects in the time-dependent probability distribution of an anharmonic vibrational coordinate and its quenching when coupled to a thermal bath. It is shown that the FB-IVR accurately reproduces the detailed quantum coherent structure in the weak coupling regime, and also describes how this coherence is quenched with an increase of the system-bath coupling and/or the bath temperature. Comparisons are made with other approximations and the physical implications are discussed. (C) 2001 American Institute of Physics.
引用
收藏
页码:2562 / 2571
页数:10
相关论文
共 73 条
[1]   Quantum control of I-2 in the gas phase and in condensed phase solid Kr matrix [J].
Bardeen, CJ ;
Che, JW ;
Wilson, KR ;
Yakovlev, VV ;
Apkarian, VA ;
Martens, CC ;
Zadoyan, R ;
Kohler, B ;
Messina, M .
JOURNAL OF CHEMICAL PHYSICS, 1997, 106 (20) :8486-8503
[2]   Femtosecond photoelectron spectroscopy of the I2- anion:: A semiclassical molecular dynamics simulation method [J].
Batista, VS ;
Zanni, MT ;
Greenblatt, BJ ;
Neumark, DM ;
Miller, WH .
JOURNAL OF CHEMICAL PHYSICS, 1999, 110 (08) :3736-3747
[3]  
Berne B. J., 1970, Advances in chemical physics vol. 18, P63, DOI 10.1002/9780470143636.ch3
[4]   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
[5]   CLASSICAL TRAJECTORY APPROACH TO PHOTO-DISSOCIATION - THE WIGNER METHOD [J].
BROWN, RC ;
HELLER, EJ .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (01) :186-188
[6]   Semiclassical initial value approach for chaotic long-lived dynamics [J].
Campolieti, G ;
Brumer, P .
JOURNAL OF CHEMICAL PHYSICS, 1998, 109 (08) :2999-3003
[7]   SEMICLASSICAL PROPAGATION - PHASE INDEXES AND THE INITIAL-VALUE FORMALISM [J].
CAMPOLIETI, G ;
BRUMER, P .
PHYSICAL REVIEW A, 1994, 50 (02) :997-1018
[8]   Semiclassical approximations to quantum dynamical time correlation functions [J].
Cao, JS ;
Voth, GA .
JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (01) :273-285
[9]   MONTE-CARLO METHODS FOR REAL-TIME QUANTUM DYNAMICS OF DISSIPATIVE SYSTEMS [J].
CLINE, RE ;
WOLYNES, PG .
JOURNAL OF CHEMICAL PHYSICS, 1988, 88 (07) :4334-4350
[10]   Nonadiabatic photodissociation dynamics of ICN in the (A)over-tilde continuum:: A semiclassical initial value representation study [J].
Coronado, EA ;
Batista, VS ;
Miller, WH .
JOURNAL OF CHEMICAL PHYSICS, 2000, 112 (13) :5566-5575