Path-integral Monte Carlo calculation of the kinetic energy of condensed lithium

Claudia Filippi, David M. Ceperley

Research output: Contribution to journalArticle

Abstract

We report path-integral Monte Carlo calculations of the kinetic energy of condensed lithium for several temperatures in both the solid and liquid phases. The excess kinetic energy of lithium decreases from about 10.4% of the classical value at 300 K to 3.2% at 520 K indicating a very slow decay with temperature. A Wigner-Kirkwood perturbation treatment of quantum effects to order ℏ2 gives a satisfactory agreement with the path-integral results.

Original languageEnglish (US)
Pages (from-to)252-257
Number of pages6
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume57
Issue number1
DOIs
StatePublished - Jan 1 1998

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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