Canonical and Gibbs ensemble Monte Carlo simulations for systems with adiabatic separation of nuclear and electronic degrees of freedom

被引：0

作者：

Chen, B

Siepmann, JI

机构：

[1] Univ Minnesota, Dept Chem, Minneapolis, MN 55455 USA

[2] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 1999年 / 217卷

关键词：

D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

211-COMP

引用

页码：U702 / U703

页数：2

共 50 条

[1] Monte Carlo algorithms for simulating systems with adiabatic separation of electronic and nuclear degrees of freedom
Chen, B
Siepmann, JI
[J]. THEORETICAL CHEMISTRY ACCOUNTS, 1999, 103 (02) : 87 - 104
[2] Monte Carlo algorithms for simulating systems with adiabatic separation of electronic and nuclear degrees of freedom
Bin Chen
J. Ilja Siepmann
[J]. Theoretical Chemistry Accounts, 1999, 103 : 87 - 104
[3] Adiabatic nuclear and electronic sampling Monte Carlo simulations in the Gibbs ensemble: Application to polarizable force fields for water
Chen, B
Potoff, JJ
Siepmann, JI
[J]. JOURNAL OF PHYSICAL CHEMISTRY B, 2000, 104 (10): : 2378 - 2390
[4] Monte Carlo simulations of squalane in the Gibbs ensemble
Neubauer, B
Delhommelle, J
Boutin, A
Tavitian, B
Fuchs, AH
[J]. FLUID PHASE EQUILIBRIA, 1999, 155 (02) : 167 - 176
[5] Coexistence densities of methane and propane by canonical molecular dynamics and Gibbs ensemble Monte Carlo simulations
Pàmies, JC
McCabe, C
Cummings, PT
Vega, LF
[J]. MOLECULAR SIMULATION, 2003, 29 (6-7) : 463 - 470
[6] Parallel Prefetching for Canonical Ensemble Monte Carlo Simulations
Hatch, Harold W.
[J]. JOURNAL OF PHYSICAL CHEMISTRY A, 2020, 124 (35): : 7191 - 7198
[7] Monte Carlo simulation of polarizable systems: Early rejection scheme for improving the performance of adiabatic nuclear and electronic sampling Monte Carlo simulations
Milton Medeiros
[J]. Theoretical Chemistry Accounts, 2005, 113 : 178 - 182
[8] Monte Carlo simulation of polarizable systems: Early rejection scheme for improving the performance of adiabatic nuclear and electronic sampling Monte Carlo simulations
Medeiros, M
[J]. THEORETICAL CHEMISTRY ACCOUNTS, 2005, 113 (03) : 178 - 182
[9] Expanded grand canonical and Gibbs ensemble Monte Carlo simulation of polymers
Escobedo, FA
dePablo, JJ
[J]. JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (10): : 4391 - 4394
[10] Temperature and density extrapolations in canonical ensemble Monte Carlo simulations
Ferreira, AL
Barroso, MA
[J]. PHYSICAL REVIEW E, 2000, 61 (02) : 1195 - 1198

← 1 2 3 4 5 →