A path integral influence functional for excess electron in fluids: Density-functional formulation

Tomonari Sumi, Hideo Sekino

Research output: Contribution to journalArticlepeer-review

11 Citations (Scopus)

Abstract

A path integral influence from a solvent was proposed to determine a self correlation function of a quantum particle in classical simple fluid. Result show that the influence functional is related to a grand potential functional of the pure solvent under a three dimensional external field. The self correlation function, the solvent-solvent and the solute-solvent pair correlation function were used to calculate the influence functional. The path integral of the electron were performed using the Fourier path-integral Monte Carlo technique.

Original languageEnglish
Pages (from-to)8157-8165
Number of pages9
JournalJournal of Chemical Physics
Volume120
Issue number17
DOIs
Publication statusPublished - May 1 2004
Externally publishedYes

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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