MONTE-CARLO CALCULATION OF THE QUANTUM PARTITION-FUNCTION VIA PATH INTEGRAL FORMULATIONS

被引：25

作者：

KONO, H ^{[1
]}

TAKASAKA, A ^{[1
]}

LIN, SH ^{[1
]}

机构：

[1] ARIZONA STATE UNIV,DEPT CHEM,TEMPE,AZ 85287

来源：

JOURNAL OF CHEMICAL PHYSICS | 1988年 / 88卷 / 10期

关键词：

D O I：

10.1063/1.454476

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

页码：6390 / 6398

页数：9

共 34 条

[1]

[Anonymous], 1975, DIFFUSION SOLIDS REC, DOI DOI 10.1016/B978-0-12-522660-8.50007-6

[2] EFFICIENT ESTIMATION OF FREE-ENERGY DIFFERENCES FROM MONTE-CARLO DATA [J].

BENNETT, CH .

JOURNAL OF COMPUTATIONAL PHYSICS, 1976, 22 (02) :245-268

[3] THE MONTE-CARLO METHOD FOR THE STUDY OF PHASE-TRANSITIONS - A REVIEW OF SOME RECENT PROGRESS [J].

BINDER, K .

JOURNAL OF COMPUTATIONAL PHYSICS, 1985, 59 (01) :1-55

[4] OSCILLATORS PERTURBED BY GAUSSIAN BARRIERS [J].

CHAN, SI ;

STELMAN, D .

JOURNAL OF CHEMICAL PHYSICS, 1963, 39 (03) :545-&

[5] 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

[6] ON THE CONNECTION BETWEEN FOURIER COEFFICIENT AND DISCRETIZED CARTESIAN PATH INTEGRATION [J].

COALSON, RD .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (02) :926-936

[7] PARTIAL AVERAGING APPROACH TO FOURIER COEFFICIENT PATH INTEGRATION [J].

COALSON, RD ;

FREEMAN, DL ;

DOLL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1986, 85 (08) :4567-4583

[8] INVESTIGATION OF DOUBLE-MINIMUM POTENTIALS IN MOLECULES [J].

COON, JB ;

NAUGLE, NW ;

MCKENZIE, RD .

JOURNAL OF MOLECULAR SPECTROSCOPY, 1966, 20 (02) :107-&

[9] APPLICATIONS OF THE GENERALIZED TROTTER FORMULA [J].

DERAEDT, H ;

DERAEDT, B .

PHYSICAL REVIEW A, 1983, 28 (06) :3575-3580

[10] MONTE-CARLO FOURIER PATH INTEGRAL METHODS IN CHEMICAL-DYNAMICS [J].

DOLL, JD .

JOURNAL OF CHEMICAL PHYSICS, 1984, 81 (08) :3536-3541

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