New variational wave function for liquid
- 1 March 1979
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 19 (5) , 2504-2519
- https://doi.org/10.1103/physrevb.19.2504
Abstract
Variational calculations, with a new wave function based on the Feynman-Cohen correlation operator, are carried out for liquid with a Lennard-Jones potential. The wave function contains three-body correlations and momentum-dependent two-body correlations, in addition to the Jastrow correlations commonly used in variational calculations. The Fermi hypernetted-chain summation methods are generalized to calculate energy expectation values wiith this wave function. The calculated equilibrium energy and density are -2.±0.1 °K and , a significant improvement over the -1.25°K and obtained with the Jastrow wave function, and closer to the experimental -2.56°K and .
Keywords
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