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Electron–inert gas pseudopotentials for use in path integral simulations.

Authors :
Li, Xiao-Ping
Broughton, Jeremy Q.
Allen, Philip B.
Source :
Journal of Chemical Physics; 9/15/1986, Vol. 85 Issue 6, p3444, 4p
Publication Year :
1986

Abstract

A method is devised to obtain an 1=0 pseudopotential for the electron–argon system using the local density functional approximation. The quality of the potential is checked against low-energy scattering data and is found to be good. The method should generalize quite simply to other inert gas–electron and to closed-shell ion–electron systems. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00219606
Volume :
85
Issue :
6
Database :
Complementary Index
Journal :
Journal of Chemical Physics
Publication Type :
Academic Journal
Accession number :
7649734
Full Text :
https://doi.org/10.1063/1.450966