MULTIPLE TIME-STEP METHODS IN MOLECULAR-DYNAMICS

被引:177
作者
STREETT, WB [1 ]
TILDESLEY, DJ [1 ]
SAVILLE, G [1 ]
机构
[1] UNIV LONDON, IMPERIAL COLL SCI & TECHNOL, DEPT CHEM ENGN, LONDON SW7 2AZ, ENGLAND
关键词
D O I
10.1080/00268977800100471
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
收藏
页码:639 / 648
页数:10
相关论文
共 18 条
[1]   SIMULATION OF DIATOMIC HOMONUCLEAR LIQUIDS [J].
BAROJAS, J ;
LEVESQUE, D ;
QUENTREC, B .
PHYSICAL REVIEW A, 1973, 7 (03) :1092-1105
[2]  
CHAPELA GA, 1975, CHEM SOC FARADAY DIS, V59, P22
[3]   PROPERTIES OF LIQUID-NITROGEN .4. COMPUTER-SIMULATION [J].
CHEUNG, PSY ;
POWLES, JG .
MOLECULAR PHYSICS, 1975, 30 (03) :921-949
[4]   SINGULARITY FREE ALGORITHM FOR MOLECULAR-DYNAMICS SIMULATION OF RIGID POLYATOMICS [J].
EVANS, DJ ;
MURAD, S .
MOLECULAR PHYSICS, 1977, 34 (02) :327-331
[5]   10000 PARTICLE MOLECULAR DYNAMICS MODEL WITH LONG-RANGE FORCES [J].
HOCKNEY, RW ;
GOEL, SP ;
EASTWOOD, JW .
CHEMICAL PHYSICS LETTERS, 1973, 21 (03) :589-591
[6]  
KUSHICK J, 1977, STATISTICAL MECHAN B, pCH2
[7]  
MURAD S, UNPUBLISHED
[8]   NEW METHOD FOR SEARCHING FOR NEIGHBORS IN MOLECULAR DYNAMICS COMPUTATIONS [J].
QUENTREC, B ;
BROT, C .
JOURNAL OF COMPUTATIONAL PHYSICS, 1973, 13 (03) :430-432
[9]   STUDY OF A CENTRAL FORCE MODEL FOR LIQUID WATER BY MOLECULAR-DYNAMICS [J].
RAHMAN, A ;
STILLINGER, FH ;
LEMBERG, HL .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (12) :5223-5230
[10]   CORRELATIONS IN MOTION OF ATOMS IN LIQUID ARGON [J].
RAHMAN, A .
PHYSICAL REVIEW, 1964, 136 (2A) :A405-+