Between classical and quantum Monte Carlo methods: "Variational" QMC

被引:36
作者
Bressanini, D
Reynolds, PJ
机构
[1] Univ Milan, Ist Sci Matemat Fis & Chim, I-22100 Como, Italy
[2] Off Naval Res, Div Phys Sci, Arlington, VA 22217 USA
[3] Georgetown Univ, Dept Phys, Washington, DC 20057 USA
来源
MONTE CARLO METHODS IN CHEMICAL PHYSICS | 1999年 / 105卷
关键词
D O I
10.1002/9780470141649.ch3
中图分类号
O64 [物理化学(理论化学)、化学物理学]; O56 [分子物理学、原子物理学];
学科分类号
070203 ; 070304 ; 081704 ; 1406 ;
摘要
引用
收藏
页码:37 / 64
页数:28
相关论文
共 56 条
[1]   OBTAINING MICROHARTREE ACCURACY FOR 2-ELECTRON SYSTEMS WITH RANDOM-TEMPERED GAUSSIAN-TYPE GEMINALS [J].
ALEXANDER, SA ;
MONKHORST, HJ ;
ROELAND, R ;
SZALEWICZ, K .
JOURNAL OF CHEMICAL PHYSICS, 1990, 93 (06) :4230-4235
[2]   MONTE-CARLO EIGENVALUE AND VARIANCE ESTIMATES FROM SEVERAL FUNCTIONAL OPTIMIZATIONS [J].
ALEXANDER, SA ;
COLDWELL, RL ;
MONKHORST, HJ ;
MORGAN, JD .
JOURNAL OF CHEMICAL PHYSICS, 1991, 95 (09) :6622-6633
[3]  
ALEXANDER SA, 1995, INT J QUANTUM CHEM S, V29, P627
[4]   RADIUS OF CONVERGENCE AND ANALYTIC BEHAVIOR OF THE 1/Z EXPANSION [J].
BAKER, JD ;
FREUND, DE ;
HILL, RN ;
MORGAN, JD .
PHYSICAL REVIEW A, 1990, 41 (03) :1247-1273
[5]   MONTE-CARLO STUDY OF IMPURITIES IN QUANTUM CLUSTERS - (H2HEN)-HE-4, N=2-19 [J].
BARNETT, RN ;
WHALEY, KB .
JOURNAL OF CHEMICAL PHYSICS, 1992, 96 (04) :2953-2965
[6]   H + H-2 REACTION BARRIER - A FIXED-NODE QUANTUM MONTE-CARLO STUDY [J].
BARNETT, RN ;
REYNOLDS, PJ ;
LESTER, WA .
JOURNAL OF CHEMICAL PHYSICS, 1985, 82 (06) :2700-2707
[7]  
Bianchi R, 1996, INT J QUANTUM CHEM, V57, P321, DOI 10.1002/(SICI)1097-461X(1996)57:3<321::AID-QUA5>3.0.CO
[8]  
2-#
[9]   Vibrational frequency shift of HF in helium clusters: Quantum simulation and experiment [J].
Blume, D ;
Lewerenz, M ;
Huisken, F ;
Kaloudis, M .
JOURNAL OF CHEMICAL PHYSICS, 1996, 105 (19) :8666-8683
[10]   MANY-ELECTRON CORRELATED EXPONENTIAL WAVE-FUNCTIONS - A QUANTUM MONTE-CARLO APPLICATION TO H-2 AND HE-2(+) [J].
BRESSANINI, D ;
MELLA, M ;
MOROSI, G .
CHEMICAL PHYSICS LETTERS, 1995, 240 (5-6) :566-570