Crossref journal-article
AIP Publishing
The Journal of Chemical Physics (317)
Abstract

The behavior of an excess electron in helium (at T=309 K) and xenon (at T=309 K and T=248 K) is studied over a range of fluid densities (ρ*=ρσ3=0.1–0.9). A path integral Monte Carlo technique is used to model the ‘‘quantum’’ electron which interacts through pseudopotentials with the ‘‘classical’’ solvent particles. In helium, the electron becomes confined in a cavity in the solvent and behaves like a particle in a spherical box. We observe contrasting behavior in the more polarizable xenon solvent where the electron exists in a ‘‘quasifree’’ state. A variety of equilibrium properties of the electron and the solvent are presented to characterize the structure of the different systems. The anomolous density dependence of the experimental electron mobility along the coexistence curve in xenon can be understood qualitatively in terms of the equilibrium structures we observe at the different solvent densities.

Bibliography

Coker, D. F., Berne, B. J., & Thirumalai, D. (1987). Path integral Monte Carlo studies of the behavior of excess electrons in simple fluids. The Journal of Chemical Physics, 86(10), 5689–5702.

Authors 3
  1. D. F. Coker (first)
  2. B. J. Berne (additional)
  3. D. Thirumalai (additional)
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Dates
Type When
Created 23 years, 1 month ago (July 26, 2002, 9:10 a.m.)
Deposited 1 year, 6 months ago (Feb. 10, 2024, 1:14 a.m.)
Indexed 1 month, 3 weeks ago (July 2, 2025, 3:46 p.m.)
Issued 38 years, 3 months ago (May 15, 1987)
Published 38 years, 3 months ago (May 15, 1987)
Published Print 38 years, 3 months ago (May 15, 1987)
Funders 0

None

@article{Coker_1987, title={Path integral Monte Carlo studies of the behavior of excess electrons in simple fluids}, volume={86}, ISSN={1089-7690}, url={http://dx.doi.org/10.1063/1.452495}, DOI={10.1063/1.452495}, number={10}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing}, author={Coker, D. F. and Berne, B. J. and Thirumalai, D.}, year={1987}, month=may, pages={5689–5702} }