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EFFICIENT ESTIMATION OF FREE-ENERGY DIFFERENCES FROM MONTE-CARLO DATA
被引:2291
作者
:
BENNETT, CH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,THOMAS J WATSON RES CTR,YORKTOWN HTS,NY 10598
IBM CORP,THOMAS J WATSON RES CTR,YORKTOWN HTS,NY 10598
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
[J].
ALDER, BJ
论文数:
0
引用数:
0
h-index:
0
ALDER, BJ
;
WAINWRIGHT, TE
论文数:
0
引用数:
0
h-index:
0
WAINWRIGHT, TE
.
JOURNAL OF CHEMICAL PHYSICS,
1960,
33
(05)
:1439
-1451
[2]
STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD
[J].
ALDER, BJ
论文数:
0
引用数:
0
h-index:
0
ALDER, BJ
;
WAINWRIGHT, TE
论文数:
0
引用数:
0
h-index:
0
WAINWRIGHT, TE
.
JOURNAL OF CHEMICAL PHYSICS,
1959,
31
(02)
:459
-466
[3]
PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS - SQUARE-WELL POTENTIAL
[J].
BARKER, JA
论文数:
0
引用数:
0
h-index:
0
BARKER, JA
;
HENDERSON, D
论文数:
0
引用数:
0
h-index:
0
HENDERSON, D
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(08)
:2856
-+
[4]
PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS .2. A SUCCESSFUL THEORY OF LIQUIDS
[J].
BARKER, JA
论文数:
0
引用数:
0
h-index:
0
BARKER, JA
;
HENDERSO.D
论文数:
0
引用数:
0
h-index:
0
HENDERSO.D
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(11)
:4714
-&
[5]
Bennett C., 1975, DIFFUSION SOLIDS REC
[6]
MASS TENSOR MOLECULAR-DYNAMICS
[J].
BENNETT, CH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,THOMAS J WATSON RES CTR,YORKTOWN HTS,NY 10598
IBM CORP,THOMAS J WATSON RES CTR,YORKTOWN HTS,NY 10598
BENNETT, CH
.
JOURNAL OF COMPUTATIONAL PHYSICS,
1975,
19
(03)
:267
-279
[7]
A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
[J].
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
;
POWELL, MJD
论文数:
0
引用数:
0
h-index:
0
POWELL, MJD
.
COMPUTER JOURNAL,
1963,
6
(02)
:163
-&
[8]
PHASE TRANSITIONS OF LENNARD-JONES SYSTEM
[J].
HANSEN, JP
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Physique Théorique et Hautes Energies
HANSEN, JP
;
VERLET, L
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Physique Théorique et Hautes Energies
VERLET, L
.
PHYSICAL REVIEW,
1969,
184
(01)
:151
-&
[9]
USE OF COMPUTER EXPERIMENTS TO LOCATE MELTING TRANSITION AND CALCULATE ENTROPY IN SOLID PHASE
[J].
HOOVER, WG
论文数:
0
引用数:
0
h-index:
0
HOOVER, WG
;
REE, FH
论文数:
0
引用数:
0
h-index:
0
REE, FH
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(12)
:4873
-+
[10]
MELTING TRANSITION AND COMMUNAL ENTROPY FOR HARD SPHERES
[J].
HOOVER, WG
论文数:
0
引用数:
0
h-index:
0
HOOVER, WG
;
REE, FH
论文数:
0
引用数:
0
h-index:
0
REE, FH
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(08)
:3609
-&
←
1
2
3
→
共 24 条
[1]
STUDIES IN MOLECULAR DYNAMICS .2. BEHAVIOR OF A SMALL NUMBER OF ELASTIC SPHERES
[J].
ALDER, BJ
论文数:
0
引用数:
0
h-index:
0
ALDER, BJ
;
WAINWRIGHT, TE
论文数:
0
引用数:
0
h-index:
0
WAINWRIGHT, TE
.
JOURNAL OF CHEMICAL PHYSICS,
1960,
33
(05)
:1439
-1451
[2]
STUDIES IN MOLECULAR DYNAMICS .1. GENERAL METHOD
[J].
ALDER, BJ
论文数:
0
引用数:
0
h-index:
0
ALDER, BJ
;
WAINWRIGHT, TE
论文数:
0
引用数:
0
h-index:
0
WAINWRIGHT, TE
.
JOURNAL OF CHEMICAL PHYSICS,
1959,
31
(02)
:459
-466
[3]
PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS - SQUARE-WELL POTENTIAL
[J].
BARKER, JA
论文数:
0
引用数:
0
h-index:
0
BARKER, JA
;
HENDERSON, D
论文数:
0
引用数:
0
h-index:
0
HENDERSON, D
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(08)
:2856
-+
[4]
PERTURBATION THEORY AND EQUATION OF STATE FOR FLUIDS .2. A SUCCESSFUL THEORY OF LIQUIDS
[J].
BARKER, JA
论文数:
0
引用数:
0
h-index:
0
BARKER, JA
;
HENDERSO.D
论文数:
0
引用数:
0
h-index:
0
HENDERSO.D
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(11)
:4714
-&
[5]
Bennett C., 1975, DIFFUSION SOLIDS REC
[6]
MASS TENSOR MOLECULAR-DYNAMICS
[J].
BENNETT, CH
论文数:
0
引用数:
0
h-index:
0
机构:
IBM CORP,THOMAS J WATSON RES CTR,YORKTOWN HTS,NY 10598
IBM CORP,THOMAS J WATSON RES CTR,YORKTOWN HTS,NY 10598
BENNETT, CH
.
JOURNAL OF COMPUTATIONAL PHYSICS,
1975,
19
(03)
:267
-279
[7]
A RAPIDLY CONVERGENT DESCENT METHOD FOR MINIMIZATION
[J].
FLETCHER, R
论文数:
0
引用数:
0
h-index:
0
FLETCHER, R
;
POWELL, MJD
论文数:
0
引用数:
0
h-index:
0
POWELL, MJD
.
COMPUTER JOURNAL,
1963,
6
(02)
:163
-&
[8]
PHASE TRANSITIONS OF LENNARD-JONES SYSTEM
[J].
HANSEN, JP
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Physique Théorique et Hautes Energies
HANSEN, JP
;
VERLET, L
论文数:
0
引用数:
0
h-index:
0
机构:
Laboratoire de Physique Théorique et Hautes Energies
VERLET, L
.
PHYSICAL REVIEW,
1969,
184
(01)
:151
-&
[9]
USE OF COMPUTER EXPERIMENTS TO LOCATE MELTING TRANSITION AND CALCULATE ENTROPY IN SOLID PHASE
[J].
HOOVER, WG
论文数:
0
引用数:
0
h-index:
0
HOOVER, WG
;
REE, FH
论文数:
0
引用数:
0
h-index:
0
REE, FH
.
JOURNAL OF CHEMICAL PHYSICS,
1967,
47
(12)
:4873
-+
[10]
MELTING TRANSITION AND COMMUNAL ENTROPY FOR HARD SPHERES
[J].
HOOVER, WG
论文数:
0
引用数:
0
h-index:
0
HOOVER, WG
;
REE, FH
论文数:
0
引用数:
0
h-index:
0
REE, FH
.
JOURNAL OF CHEMICAL PHYSICS,
1968,
49
(08)
:3609
-&
←
1
2
3
→