March 15, 1981

Efficient iteration scheme for self-consistent pseudopotential calculations

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Abstract

It is shown that an iteration technique introduced by Manninen et al. for self-consistent jellium-model calculations can be easily extended to provide a simple and very efficient iteration scheme for the self-consistent pseudopotential method.

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G. Kerker (Sun,) studied this question.

synapsesocial.com/papers/695faa850e51a884aed07f2b https://doi.org/https://doi.org/10.1103/physrevb.23.3082

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