INTRODUCTION OF ANDERSEN DEMON IN THE MOLECULAR-DYNAMICS OF SYSTEMS WITH CONSTRAINTS

被引：95

作者：

RYCKAERT, JP ^{[1
]}

CICCOTTI, G ^{[1
]}

机构：

[1] CENS,SRMP,F-91191 GIF SUR YVETTE,FRANCE

来源：

JOURNAL OF CHEMICAL PHYSICS | 1983年 / 78卷 / 12期

关键词：

D O I：

10.1063/1.444728

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：7368 / 7374

页数：7

共 14 条

[1] MOLECULAR-DYNAMICS SIMULATIONS AT CONSTANT PRESSURE AND-OR TEMPERATURE [J].

ANDERSEN, HC .

JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2384-2393

[2]

Bradbury TC, 1968, THEORETICAL MECHANIC

[3]

BROWN D, 1982, INFORMATION Q MD MC, V4, P32

[4] MOLECULAR-DYNAMICS OF RIGID SYSTEMS IN CARTESIAN COORDINATES A GENERAL FORMULATION [J].

CICCOTTI, G ;

FERRARIO, M ;

RYCKAERT, JP .

MOLECULAR PHYSICS, 1982, 47 (06) :1253-1264

[5] CLASSICAL STATISTICAL-MECHANICS OF CONSTRAINTS - THEOREM AND APPLICATION TO POLYMERS [J].

FIXMAN, M .

PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1974, 71 (08) :3050-3053

[6]

Goldstein H., 1980, CLASSICAL MECHANICS

[7]

HAILE JM, 1980, J CHEM PHYS, V73, P2412, DOI 10.1063/1.440391

[8] NPT-ENSEMBLE MONTE-CARLO CALCULATIONS FOR BINARY LIQUID MIXTURES [J].

MCDONALD, IR .

MOLECULAR PHYSICS, 1972, 23 (01) :41-&

[9] CRYSTAL-STRUCTURE AND PAIR POTENTIALS - A MOLECULAR-DYNAMICS STUDY [J].

PARRINELLO, M ;

RAHMAN, A .

PHYSICAL REVIEW LETTERS, 1980, 45 (14) :1196-1199

[10] THE ROTATION-TRANSLATION COUPLING IN DIATOMIC-MOLECULES [J].

RYCKAERT, JP ;

BELLEMANS, A ;

CICCOTTI, G .

MOLECULAR PHYSICS, 1981, 44 (04) :979-996

← 1 2 →