Document Type

Article

Date

2-28-1983

Embargo Period

3-22-2013

Keywords

Chemistry

Disciplines

Chemistry

Description/Abstract

Various forms for the ion density profiles of Cs and Na have been tested in the density functional formalism. The large oscillations expected for Coulombic systems are largely suppressed by the pseudopotential. While oscillatory profiles give some improvement in surface tension, the values obtained are still about twice the experimental ones. It is concluded that the treatment of the pseudopotential or the gradient expansion of the functional is responsible for the unsatisfactory results obtained.

Additional Information

Copyright 1983 Journal of Physics. C: Solid State Physics. This article may be downloaded for personal use only. Any other use requires prior permission of the author and Journal of Physics. C: Solid State Physics.

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local input

Creative Commons License

Creative Commons License
This work is licensed under a Creative Commons Attribution 3.0 License.

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Chemistry Commons

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