On the relationship between the dispersed polaron and spin-boson models

被引：20

作者：

Hwang, JK ^{[1
]}

Warshel, A ^{[1
]}

机构：

[1] UNIV SO CALIF,DEPT CHEM,LOS ANGELES,CA 90089

来源：

CHEMICAL PHYSICS LETTERS | 1997年 / 271卷 / 4-6期

基金：

美国国家卫生研究院;

关键词：

D O I：

10.1016/S0009-2614(97)00482-X

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 dispersed polaron model [Warshel, Hwang, J. Chem. Phys. 84 (1986) 4938] provides a powerful way of using classical molecular dynamics simulation in evaluation of quantum mechanical rate constant for electron transfer and related processes. Similar application is provided by the so-called spin-boson Hamiltonian. Here we establish that both approaches are equivalent. (C) 1997 Elsevier Science B.V.

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收藏

页码：223 / 225

页数：3

相关论文

共 12 条

[1] ROLE OF NUCLEAR TUNNELING IN AQUEOUS FERROUS FERRIC ELECTRON-TRANSFER [J].

BADER, JS ;

KUHARSKI, RA ;

CHANDLER, D .

JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (01) :230-236

[2] THE COMPUTATION OF ELECTRON-TRANSFER RATES - THE NONADIABATIC INSTANTON SOLUTION [J].

CAO, JS ;

MINICHINO, C ;

VOTH, GA .

JOURNAL OF CHEMICAL PHYSICS, 1995, 103 (04) :1391-1399

[3]

CHURG AK, 1985, STRUCTURE MOTION MEM, P361

[4] APPLICATION OF THE METHOD OF GENERATING FUNCTION TO RADIATIVE AND NON-RADIATIVE TRANSITIONS OF A TRAPPED ELECTRON IN A CRYSTAL [J].

KUBO, R ;

TOYOZAWA, Y .

PROGRESS OF THEORETICAL PHYSICS, 1955, 13 (02) :160-182

[5] DYNAMICS OF THE DISSIPATIVE 2-STATE SYSTEM [J].

LEGGETT, AJ ;

CHAKRAVARTY, S ;

DORSEY, AT ;

FISHER, MPA ;

GARG, A ;

ZWERGER, W .

REVIEWS OF MODERN PHYSICS, 1987, 59 (01) :1-85

[6] COUPLING OF PROTEIN MOTION TO ELECTRON-TRANSFER - MOLECULAR-DYNAMICS AND STOCHASTIC QUANTUM-MECHANICS STUDY OF PHOTOSYNTHETIC REACTION CENTERS [J].

SCHULTEN, K ;

TESCH, M .

CHEMICAL PHYSICS, 1991, 158 (2-3) :421-446

[7] SIMULATION OF THE DYNAMICS OF ELECTRON-TRANSFER REACTIONS IN POLAR-SOLVENTS - SEMICLASSICAL TRAJECTORIES AND DISPERSED POLARON APPROACHES [J].

WARSHEL, A ;

HWANG, JK .

JOURNAL OF CHEMICAL PHYSICS, 1986, 84 (09) :4938-4957

[8] DISPERSED POLARON SIMULATIONS OF ELECTRON-TRANSFER IN PHOTOSYNTHETIC REACTION CENTERS [J].

WARSHEL, A ;

CHU, ZT ;

PARSON, WW .

SCIENCE, 1989, 246 (4926) :112-116

[9]

WARSHEL A, 1991, ANNU REV PHYS CHEM, V42, P279, DOI 10.1146/annurev.physchem.42.1.279

[10]

WARSHEL A, 1990, CHEM PHYS, V94, P4003