Ground State of Liquid
- 19 April 1965
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 138 (2A) , A442-A451
- https://doi.org/10.1103/physrev.138.a442
Abstract
The properties of the ground state of liquid are studied using a variational wave function of the form . The Lennard-Jones 12-6 potential is used with parameters determined from the gas data by deBoer and Michiels. The configuration space integrals are performed by a Monte Carlo technique for 32 and 108 atoms in a cube with periodic boundary conditions. With , the ground-state energy is found to be -0.78 × ergs/atom, which is 20% above the experimental value. The liquid structure factor and the two-particle correlation function are in reasonably good agreement with the x-ray and neutron scattering experiments.
Keywords
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