MONTE-CARLO ESTIMATION OF FREE-ENERGY BY MULTISTAGE SAMPLING

被引:237
作者
VALLEAU, JP
CARD, DN
机构
关键词
D O I
10.1063/1.1678245
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 ;
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页码:5457 / &
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共 19 条
[1]   STUDIES IN MOLECULAR DYNAMICS .V. HIGH-DENSITY EQUATION OF STATE AND ENTROPY FOR HARD DISKS AND SPHERES [J].
ALDER, BJ ;
HOOVER, WG ;
YOUNG, DA .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) :3688-&
[2]   MODE EXPANSION IN EQUILIBRIUM STATISTICAL MECHANICS .3. OPTIMIZED CONVERGENCE AND APPLICATION TO IONIC SOLUTION THEORY [J].
ANDERSEN, HC ;
CHANDLER, D .
JOURNAL OF CHEMICAL PHYSICS, 1971, 55 (04) :1497-+
[3]   MONTE-CARLO STUDY OF THERMODYNAMICS OF ELECTROLYTE SOLUTIONS [J].
CARD, DN ;
VALLEAU, JP .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (12) :6232-&
[4]   THERMODYNAMIC PROPERTIES OF A RIGID-SPHERE FLUID [J].
CARNAHAN, NF ;
STARLING, KE .
JOURNAL OF CHEMICAL PHYSICS, 1970, 53 (02) :600-&
[5]   MONTE CARLO PROCEDURE FOR STATISTICAL MECHANICAL CALCULATIONS IN A GRAND CANONICAL ENSEMBLE OF LATTICE SYSTEMS [J].
CHESNUT, DA ;
SALSBURG, ZW .
JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (12) :2861-&
[6]  
GOSLING EM, 1970, J PURE APPL CHEM, V22, P303
[7]   PHASE TRANSITIONS OF LENNARD-JONES SYSTEM [J].
HANSEN, JP ;
VERLET, L .
PHYSICAL REVIEW, 1969, 184 (01) :151-&
[8]   MELTING TRANSITION AND COMMUNAL ENTROPY FOR HARD SPHERES [J].
HOOVER, WG ;
REE, FH .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (08) :3609-&
[9]   MACHINE CALCULATION OF THERMODYNAMIC PROPERTIES OF A SIMPLE FLUID AT SUPERCRITICAL TEMPERATURES [J].
MCDONALD, IR ;
SINGER, K .
JOURNAL OF CHEMICAL PHYSICS, 1967, 47 (11) :4766-&
[10]   EQUATION OF STATE CALCULATIONS BY FAST COMPUTING MACHINES [J].
METROPOLIS, N ;
ROSENBLUTH, AW ;
ROSENBLUTH, MN ;
TELLER, AH ;
TELLER, E .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (06) :1087-1092