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New variational wave function for liquid He 3

1979; American Physical Society; Volume: 19; Issue: 5 Linguagem: Inglês

10.1103/physrevb.19.2504

1095-3795

K. E. Schmidt, V. R. Pandharipande,

Advanced Chemical Physics Studies

Variational calculations, with a new wave function based on the Feynman-Cohen correlation operator, are carried out for liquid $^{3}\mathrm{He}$ 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.\ifmmode\pm\else\textpm\fi{}0.1 \ifmmode^\circ\else\textdegree\fi{}K and $0.28\ifmmode\pm\else\textpm\fi{}0.01{\ensuremath{\sigma}}^{\ensuremath{-}3}$, a significant improvement over the -1.25\ifmmode^\circ\else\textdegree\fi{}K and $0.22{\ensuremath{\sigma}}^{\ensuremath{-}3}$ obtained with the Jastrow wave function, and closer to the experimental -2.56\ifmmode^\circ\else\textdegree\fi{}K and $0.28{\ensuremath{\sigma}}^{\ensuremath{-}3}$.