Quantum time correlation functions and classical coherence

被引：75

作者：

Hernandez, R ^{[1
]}

Voth, GA

机构：

[1] Georgia Inst Technol, Sch Chem & Biochem, Atlanta, GA 30332 USA

[2] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA

[3] Univ Utah, Henry Eyring Ctr Theoret Chem, Salt Lake City, UT 84112 USA

来源：

CHEMICAL PHYSICS | 1998年 / 233卷 / 2-3期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1016/S0301-0104(98)00027-5

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：

Quantum time correlation functions for electronically adiabatic and nonadiabatic processes have recently been evaluated directly using the semiclassical initial value representation [J. Cao and G.A. Voth, J. Chem. Phys. 104 (1996) 2.71]. In this paper, the approach to the classical limit of this theory is analyzed and the nature of coherence in such limits is explored. (C) 1998 Elsevier Science B.V. All rights reserved.

引用

页码：243 / 255

页数：13

共 43 条

[1] DYNAMICS AND SPECTRA OF A SOLVATED ELECTRON IN WATER CLUSTERS [J].

BARNETT, RN ;

LANDMAN, U ;

NITZAN, A .

JOURNAL OF CHEMICAL PHYSICS, 1988, 89 (04) :2242-2256

[2] SEMICLASSICAL PROPAGATION - PHASE INDEXES AND THE INITIAL-VALUE FORMALISM [J].

CAMPOLIETI, G ;

BRUMER, P .

PHYSICAL REVIEW A, 1994, 50 (02) :997-1018

[3] Semiclassical approximations to quantum dynamical time correlation functions [J].

Cao, JS ;

Voth, GA .

JOURNAL OF CHEMICAL PHYSICS, 1996, 104 (01) :273-285

[4] METHODS FOR MOLECULAR-DYNAMICS WITH NONADIABATIC TRANSITIONS [J].

COKER, DF ;

XIAO, L .

JOURNAL OF CHEMICAL PHYSICS, 1995, 102 (01) :496-510

[5] A NOVEL DISCRETE VARIABLE REPRESENTATION FOR QUANTUM-MECHANICAL REACTIVE SCATTERING VIA THE S-MATRIX KOHN METHOD [J].

COLBERT, DT ;

MILLER, WH .

JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (03) :1982-1991

[6] TOWARD A MONTE-CARLO THEORY OF QUANTUM DYNAMICS [J].

DOLL, JD ;

COALSON, RD ;

FREEMAN, DL .

JOURNAL OF CHEMICAL PHYSICS, 1987, 87 (03) :1641-1647

[7]

DOLL JD, 1989, ADV CHEM PHYS, V73, P289

[8] LOW-TEMPERATURE DYNAMICAL SIMULATION OF SPIN-BOSON SYSTEMS [J].

EGGER, R ;

MAK, CH .

PHYSICAL REVIEW B, 1994, 50 (20) :15210-15220

[9]

FEYNMAN RP, 1965, QUANTUM MECHANICS PA, pCH10

[10]

FILINOV VS, 1986, NUCL PHYS B, V271, P717, DOI 10.1016/S0550-3213(86)80034-7

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