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

Tomonari Sumi; Hideo Sekino

doi:10.1063/1.1695324

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

Tomonari Sumi, Hideo Sekino

Research output: Contribution to journal › Article › peer-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 language	English
Pages (from-to)	8157-8165
Number of pages	9
Journal	Journal of Chemical Physics
Volume	120
Issue number	17
DOIs	https://doi.org/10.1063/1.1695324
Publication status	Published - May 1 2004
Externally published	Yes

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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