A MULTIPLE TIME-STEP METHOD FOR MOLECULAR-DYNAMICS SIMULATIONS OF FLUIDS OF CHAIN MOLECULES

被引：52

作者：

SWINDOLL, RD ^{[1
]}

HAILE, JM ^{[1
]}

机构：

[1] CLEMSON UNIV,DEPT CHEM ENGN,CLEMSON,SC 29631

来源：

JOURNAL OF COMPUTATIONAL PHYSICS | 1984年 / 53卷 / 02期

关键词：

D O I：

10.1016/0021-9991(84)90042-1

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：289 / 298

页数：10

相关论文

共 17 条

[1] EVANS GT, 1983, ACS ADV CHEM SER, V204, P423
[2] CLASSICAL STATISTICAL-MECHANICS OF CONSTRAINTS - THEOREM AND APPLICATION TO POLYMERS
FIXMAN, M
[J]. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, 1974, 71 (08) : 3050 - 3053
[3] Gear CW., 1971, PRENTICE HALL SERIES
[4] HABENSHUSS A, UNPUB
[5] HAILE JM, 1978, ACS SYM SER, V86, P172
[6] FLEXIBLE VS RIGID CONSTRAINTS IN STATISTICAL-MECHANICS
HELFAND, E
[J]. JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (12) : 5000 - 5007
[7] EQUATION OF STATE FOR THE LENNARD-JONES FLUID
NICOLAS, JJ
GUBBINS, KE
STREETT, WB
TILDESLEY, DJ
[J]. MOLECULAR PHYSICS, 1979, 37 (05) : 1429 - 1454
[8] Ryckaert Jean-Paul, 1976, THESIS U LIBRE BRUXE
[9] MOLECULAR-DYNAMICS OF LIQUID NORMAL-BUTANE NEAR ITS BOILING-POINT
RYCKAERT, JP
BELLEMANS, A
[J]. CHEMICAL PHYSICS LETTERS, 1975, 30 (01) : 123 - 125
[10] NUMERICAL-INTEGRATION OF CARTESIAN EQUATIONS OF MOTION OF A SYSTEM WITH CONSTRAINTS - MOLECULAR-DYNAMICS OF N-ALKANES
RYCKAERT, JP
CICCOTTI, G
BERENDSEN, HJC
[J]. JOURNAL OF COMPUTATIONAL PHYSICS, 1977, 23 (03) : 327 - 341