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

Citation
S. Moroni et al., EULER MONTE-CARLO CALCULATIONS FOR LIQUID-HE-4 AND HE-3, Physical review. B, Condensed matter, 52(18), 1995, pp. 13547-13558
Citations number
48
Categorie Soggetti
Physics, Condensed Matter
ISSN journal
01631829
Volume
52
Issue
18
Year of publication
1995
Pages
13547 - 13558
Database
ISI
SICI code
0163-1829(1995)52:18<13547:EMCFLA>2.0.ZU;2-Y
Abstract
We present an optimization procedure for Monte Carlo variational calcu lations 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 o f 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 f ixed-node approximation. The remaining appreciable discrepancies betwe en the results of variational and diffusion Monte Carlo unambiguously point to the increasing importance of n-body correlations, with n>3, a s the density is increased.