EULER MONTE-CARLO CALCULATIONS FOR LIQUID-HE-4 AND HE-3

被引:74
作者
MORONI, S
FANTONI, S
SENATORE, G
机构
[1] SCUOLA INT SUPER STUDI AVANZATI, INTERDISCIPLINARY LAB, I-34014 TRIESTE, ITALY
[2] INT CTR THEORET PHYS, I-34014 TRIESTE, ITALY
[3] UNIV TRIESTE, DIPARTIMENTO FIS TEOR, I-34014 TRIESTE, ITALY
来源
PHYSICAL REVIEW B | 1995年 / 52卷 / 18期
关键词
D O I
10.1103/PhysRevB.52.13547
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
We present an optimization procedure for Monte Carlo variational calculations and illustrate it by optimizing pair and triplet correlations in the ground-state wave functions of liquid He-4 and He-3. We use the optimized trial functions, with a partially optimized backflow for He-3, to perform extensive diffusion Monte Carlo simulations that yield accurate results for the equation of state and structural properties of both liquids. The agreement with experiments, which is excellent for He-4, somewhat deteriorates in going to He-3, due to the use of the fixed-node approximation. The remaining appreciable discrepancies between the results of variational and diffusion Monte Carlo unambiguously point to the increasing importance of n-body correlations, with n>3, as the density is increased.
引用
收藏
页码:13547 / 13558
页数:12
相关论文
共 48 条
[1]   X-RAY SCATTERING FROM LIQUID HELIUM [J].
ACHTER, FK ;
MEYER, L .
PHYSICAL REVIEW, 1969, 188 (01) :291-+
[2]   GROUND-STATE ENERGY OF LIQUID HE-3 AND LIQUID HE-4 - EVALUATION FROM SOUND-PROPAGATION DATA [J].
AZIZ, RA ;
PATHRIA, RK .
PHYSICAL REVIEW A, 1973, 7 (02) :809-812
[3]   ACCURATE INTER-MOLECULAR POTENTIAL FOR HELIUM [J].
AZIZ, RA ;
NAIN, VPS ;
CARLEY, JS ;
TAYLOR, WL ;
MCCONVILLE, GT .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (09) :4330-4342
[4]   MONTE-CARLO ANALYSIS OF AN INTERATOMIC POTENTIAL FOR HE [J].
BORONAT, J ;
CASULLERAS, J .
PHYSICAL REVIEW B, 1994, 49 (13) :8920-8930
[5]   EXTENDED JASTROW FUNCTIONS [J].
CAMPBELL, CE .
PHYSICS LETTERS A, 1973, A 44 (07) :471-473
[6]   MONTE-CARLO SIMULATION OF A MANY-FERMION STUDY [J].
CEPERLEY, D ;
CHESTER, GV ;
KALOS, MH .
PHYSICAL REVIEW B, 1977, 16 (07) :3081-3099
[7]  
Ceperley D., 1979, MONTE CARLO METHODS
[8]  
Ceperley D. M., 1981, RECENT PROGR MANY BO
[9]   PATH-INTEGRAL COMPUTATION OF THE LOW-TEMPERATURE PROPERTIES OF LIQUID-HE-4 [J].
CEPERLEY, DM ;
POLLOCK, EL .
PHYSICAL REVIEW LETTERS, 1986, 56 (04) :351-354
[10]   FERMION NODES [J].
CEPERLEY, DM .
JOURNAL OF STATISTICAL PHYSICS, 1991, 63 (5-6) :1237-1267