AN ITERATIVE SCHEME FOR THE EVALUATION OF DISCRETIZED PATH-INTEGRALS

被引：198

作者：

THIRUMALAI, D

BRUSKIN, EJ

BERNE, BJ

机构：

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 79卷 / 10期

关键词：

D O I：

10.1063/1.445601

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：

引用

收藏

页码：5063 / 5069

页数：7

相关论文

共 11 条

[1] QUANTUM-STATISTICAL MONTE-CARLO METHOD - PATH INTEGRALS WITH BOUNDARY-CONDITIONS [J].

BARKER, JA .

JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (06) :2914-2918

[2] EXPLOITING THE ISOMORPHISM BETWEEN QUANTUM-THEORY AND CLASSICAL STATISTICAL-MECHANICS OF POLYATOMIC FLUIDS [J].

CHANDLER, D ;

WOLYNES, PG .

JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (07) :4078-4095

[3]

HALL RJ, UNPUB

[4]

HERMAN MF, 1982, J CHEM PHYS, V78, P5150

[5]

JONGEWARD G, PREPRINT

[6] THEORETICAL STUDIES OF EFFECT OF ELECTRON CORRELATION ON GEOMETRY AND BARRIERS TO INTERNAL-ROTATION IN HYDROGEN-PEROXIDE [J].

RODWELL, WR ;

CARLSEN, NR ;

RADOM, L .

CHEMICAL PHYSICS, 1978, 31 (02) :177-186

[7] CONVENIENT AND ACCURATE DISCRETIZED PATH INTEGRAL METHODS FOR EQUILIBRIUM QUANTUM-MECHANICAL CALCULATIONS [J].

SCHWEIZER, KS ;

STRATT, RM ;

CHANDLER, D ;

WOLYNES, PG .

JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (03) :1347-1364

[8] MONTE-CARLO EVALUATION OF PATH-INTEGRALS - QUANTAL INTRAMOLECULAR DEGREES OF FREEDOM IN SOLUTION [J].

STRATT, RM .

JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (04) :2108-2112

[9] ON THE CALCULATION OF TIME CORRELATION-FUNCTIONS IN QUANTUM-SYSTEMS - PATH INTEGRAL TECHNIQUES [J].

THIRUMALAI, D ;

BERNE, BJ .

JOURNAL OF CHEMICAL PHYSICS, 1983, 79 (10) :5029-5033

[10]

THIRUMALAI D, UNPUB