Thermodynamic calculation for liquid lithium using one-component-plasma system

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Abstract

By combining the Monte Carlo technique, the classical one-component-plasma system and the Gibbs-Bogoliubov inequality expressed in different version, we present a new method to the variational thermodynamic calculation of liquid lithium. Contrast to the currently used method, the present theory, though also based on Gibbs-Bogoliubov inequality, has the attractive feature that the liquid structure factor, required in the calculation of free energy, is assessed ab initio so that the accuracy of the various thermodynamic quantities can be considerably improved. The thermodynamic results will be compared with conventional variational method and the differences are discussed.

Original languageEnglish
Pages (from-to)513-516
Number of pages4
JournalJournal of Non-Crystalline Solids
Volume117-118
Issue numberPART 2
DOIs
StatePublished - 1 Feb 1990

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