Ab initio molecular-dynamics method based on the restricted path integral: Application to the electron plasma and liquid alkali metal

Ki Dong Oh, Pierre A Deymier

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Abstract

We introduce an ab initio molecular-dynamics method based on the discretized path-integral representation of quantum particles. Fermi statistics is automatically generated by an effective exchange potential. This path-integral molecular-dynamics method is able to stimulate electron plasmas at the border of the degenerate and the semidegenerate regimes with a satisfactory level of accuracy. Application of the method to the simulation of a liquid alkali metal demonstrates its potential in the simulation of real systems from first principles.

Original languageEnglish (US)
Pages (from-to)7577-7584
Number of pages8
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume58
Issue number12
Publication statusPublished - Sep 15 1998

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ASJC Scopus subject areas

  • Condensed Matter Physics

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