A MONTE-CARLO METHOD FOR QUANTUM BOLTZMANN STATISTICAL-MECHANICS USING FOURIER REPRESENTATIONS OF PATH-INTEGRALS

被引:85
作者
FREEMAN, DL [1 ]
DOLL, JD [1 ]
机构
[1] UNIV CALIF LOS ALAMOS NATL LAB,DIV CHEM,LOS ALAMOS,NM 87545
关键词
D O I
10.1063/1.446640
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:5709 / 5718
页数:10
相关论文
共 13 条
[1]  
ABRAHAM FF, 1977, HOMOGENEOUS NUCLEATI
[3]   EXPLOITING THE ISOMORPHISM BETWEEN QUANTUM-THEORY AND CLASSICAL STATISTICAL-MECHANICS OF POLYATOMIC FLUIDS [J].
CHANDLER, D ;
WOLYNES, PG .
JOURNAL OF CHEMICAL PHYSICS, 1981, 74 (07) :4078-4095
[4]   SEMI-CLASSICAL MONTE-CARLO METHODS [J].
DOLL, JD ;
MYERS, LE .
JOURNAL OF CHEMICAL PHYSICS, 1979, 71 (07) :2880-2883
[5]   A MONTE-CARLO METHOD FOR QUANTUM BOLTZMANN STATISTICAL-MECHANICS [J].
DOLL, JD ;
FREEMAN, DL .
JOURNAL OF CHEMICAL PHYSICS, 1984, 80 (05) :2239-2240
[6]  
FEYNMAN RP, 1972, STATISTICAL MECHANIC
[7]   THEORY AND MONTE-CARLO SIMULATION OF PHYSICAL CLUSTERS IN IMPERFECT VAPOR [J].
LEE, JK ;
BARKER, JA ;
ABRAHAM, FF .
JOURNAL OF CHEMICAL PHYSICS, 1973, 58 (08) :3166-3180
[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]   PATH INTEGRAL-REPRESENTATION OF REACTION-RATE CONSTANT IN QUANTUM-MECHANICAL TRANSITION-STATE THEORY [J].
MILLER, WH .
JOURNAL OF CHEMICAL PHYSICS, 1975, 63 (03) :1166-1172
[10]   CONVENIENT AND ACCURATE DISCRETIZED PATH INTEGRAL METHODS FOR EQUILIBRIUM QUANTUM-MECHANICAL CALCULATIONS [J].
SCHWEIZER, KS ;
STRATT, RM ;
CHANDLER, D ;
WOLYNES, PG .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (03) :1347-1364