Monte Carlo and perturbation-theory calculations for liquid metals

M. Ross, H. E. DeWitt, W. B. Hubbard

Research output: Contribution to journalArticlepeer-review

71 Scopus citations


Monte Carlo calculations of the thermodynamic properties of a pseudopotential metal fluid, approximating lithium, were carried out over a wide range of temperatures and densities. The calculations were compared with the predictions of variational perturbation theories employing the hard sphere, soft sphere, and the one component plasma (OCP) as reference systems. The OCP predictions are in better agreement with Monte Carlo pressures, but are comparable for energies. The OCP reference system has the lower Helmholtz free energy at all points studied.

Original languageEnglish (US)
Pages (from-to)1016-1020
Number of pages5
JournalPhysical Review A
Issue number2
StatePublished - 1981

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics


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