Energy and structure of the ground state of liquid
- 1 May 1977
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 15 (9), 4238-4255
- https://doi.org/10.1103/physrevb.15.4238
Abstract
We present the results of a calculation of the energy- and liquid-structure function of the ground state of liquid in the density range 0.0180-0.0257 , using both the Lennard-Jones 6-12 potential and the second Morse-dipole-dipole potential of Bruch and McGee. The method is to determine the optimum Jastrow trial wave function by multiple iteration of the paired-phonon analysis, and then calculate the contributions of three-body factors in the wave function. Tables of values are given at several densities for the radial distribution function, Jastrow function, and liquid-structure function. We also present a variational formulation of the paired phonon analysis and numerical examples of its convergence and self-consistency.
Keywords
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