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Density functional theory and interionic potentials

Authors :
W. C. Mackrodt
Neil L. Allan
Source :
Philosophical Magazine B. 69:871-878
Publication Year :
1994
Publisher :
Informa UK Limited, 1994.

Abstract

A brief review is presented of how density functional theory has been used to obtain interionic potentials in solids. The advantage and also the limitations of this approach are stressed. Functionals based on the uniform electron gas are much more successful than might have been anticipated from the underlying assumptions of the model.

Details

ISSN :
14636417 and 13642812
Volume :
69
Database :
OpenAIRE
Journal :
Philosophical Magazine B
Accession number :
edsair.doi...........ca6b53f336ae7ee012033b1f0876ec02
Full Text :
https://doi.org/10.1080/01418639408240155