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 | The Journal of Chemical Physics |
| Volume | 120 |
| Issue number | 17 |
| DOIs | |
| Publication status | Published - May 1 2004 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
A path integral influence functional for excess electron in fluids : Density-functional formulation. / Sumi, Tomonari; Sekino, Hideo.
In: The Journal of Chemical Physics, Vol. 120, No. 17, 01.05.2004, p. 8157-8165.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - A path integral influence functional for excess electron in fluids
T2 - Density-functional formulation
AU - Sumi, Tomonari
AU - Sekino, Hideo
PY - 2004/5/1
Y1 - 2004/5/1
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=2442455326&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=2442455326&partnerID=8YFLogxK
U2 - 10.1063/1.1695324
DO - 10.1063/1.1695324
M3 - Article
C2 - 15267735
AN - SCOPUS:2442455326
VL - 120
SP - 8157
EP - 8165
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 17
ER -