A MONTE-CARLO PROCEDURE FOR THE STUDY OF SOLVENT EFFECTS ON QUANTUM MOLECULAR DEGREES OF FREEDOM

被引:35
作者
HERMAN, MF
BERNE, BJ
机构
关键词
D O I
10.1016/0009-2614(81)85620-5
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:163 / 167
页数:5
相关论文
共 11 条
[1]  
BAYM G, 1969, LECTURES QUANTUM MEC
[2]  
Ceperley D., 1979, MONTE CARLO METHODS
[3]   INHOMOGENEOUS BROADENING OF MORSE OSCILLATORS IN LIQUIDS [J].
DIJKMAN, FG ;
VANDERMAAS, JH .
JOURNAL OF CHEMICAL PHYSICS, 1977, 66 (09) :3871-3878
[4]  
FEYNMAN RP, 1972, STATISTICAL MECHANIC
[5]   EFFECTIVE VIBRATIONAL POTENTIALS OF BROMINE IN ARGON - MONTE-CARLO SIMULATION IN A MIXED ENSEMBLE [J].
FREASIER, BC ;
JOLLY, DL ;
HAMER, ND ;
NORDHOLM, S .
CHEMICAL PHYSICS, 1979, 38 (03) :293-300
[6]  
HERMAN M, UNPUBLISHED
[7]   MOLECULAR-DYNAMICS SIMULATION OF DEPHASING IN LIQUID-NITROGEN .2. EFFECT OF THE PAIR POTENTIAL ON DEPHASING [J].
LEVESQUE, D ;
WEIS, JJ ;
OXTOBY, DW .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (04) :2744-2749
[8]   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
[9]   EFFECTIVE INTRAMOLECULAR POTENTIALS FOR MOLECULAR BROMINE IN ARGON - COMPARISON OF THEORY WITH SIMULATION [J].
PRATT, LR ;
CHANDLER, D .
JOURNAL OF CHEMICAL PHYSICS, 1980, 72 (07) :4045-4048
[10]  
Valleau J. P., 1977, MODERN THEORETICAL C, V5