EFFICIENT ESTIMATION OF FREE-ENERGY DIFFERENCES FROM MONTE-CARLO DATA

被引：2234

作者：

BENNETT, CH ^{[1
]}

机构：

[1] IBM CORP,THOMAS J WATSON RES CTR,YORKTOWN HTS,NY 10598

来源：

JOURNAL OF COMPUTATIONAL PHYSICS | 1976年 / 22卷 / 02期

关键词：

D O I：

10.1016/0021-9991(76)90078-4

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

引用

收藏

页码：245 / 268

页数：24

相关论文

共 24 条

[1] STUDIES IN MOLECULAR DYNAMICS .2. BEHAVIOR OF A SMALL NUMBER OF ELASTIC SPHERES
ALDER, BJ
WAINWRIGHT, TE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1960, 33 (05) : 1439 - 1451
[2] STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD
ALDER, BJ
WAINWRIGHT, TE
[J]. JOURNAL OF CHEMICAL PHYSICS, 1959, 31 (02) : 459 - 466
[3] PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS - SQUARE-WELL POTENTIAL
BARKER, JA
HENDERSON, D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (08) : 2856 - +
[4] PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS .2. A SUCCESSFUL THEORY OF LIQUIDS
BARKER, JA
HENDERSO.D
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) : 4714 - &
[5] Bennett C., 1975, DIFFUSION SOLIDS REC
[6] MASS TENSOR MOLECULAR-DYNAMICS
BENNETT, CH
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1975, 19 (03) : 267 - 279
[7] A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
FLETCHER, R
POWELL, MJD
[J]. COMPUTER JOURNAL, 1963, 6 (02) : 163 - &
[8] PHASE TRANSITIONS OF LENNARD-JONES SYSTEM
HANSEN, JP
VERLET, L
[J]. PHYSICAL REVIEW, 1969, 184 (01): : 151 - &
[9] USE OF COMPUTER EXPERIMENTS TO LOCATE MELTING TRANSITION AND CALCULATE ENTROPY IN SOLID PHASE
HOOVER, WG
REE, FH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (12) : 4873 - +
[10] MELTING TRANSITION AND COMMUNAL ENTROPY FOR HARD SPHERES
HOOVER, WG
REE, FH
[J]. JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) : 3609 - &