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 | |
| 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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Sumi, T., & Sekino, H. (2004). A path integral influence functional for excess electron in fluids: Density-functional formulation. Journal of Chemical Physics, 120(17), 8157-8165. https://doi.org/10.1063/1.1695324