Three-body correlations in liquid
- 1 December 1982
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 26 (11) , 6123-6130
- https://doi.org/10.1103/physrevb.26.6123
Abstract
We report results of variational calculations of liquid with wave functions containing optimized two-body and three-body correlations. The hypernetted-chain (HNC) summation method is used, and the elementary and Abe diagrams are calculated with the scaling approximation. Comparisons with the existing Monte Carlo calculations suggest that this HNC-scaling method is almost exact. The logarithm of the three-body correlation of contains terms having , . As expected on theoretical grounds, the term of dominates, while the terms give rather small changes in the binding energy. The makes up ∼85% of the difference between the Jastrow and presumably exact Green's-function Monte Carlo (GFMC) energies. The best variational energies obtained with the HFDHE2 potential of Aziz et al. are within (2 ± 1)% of the GFMC and experimental results. The liquid structure function is also well explained by the variational wave function.
Keywords
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