Ab initio pseudopotentials for orbital-free density functionals

S. Watson, B. J. Jesson, E. A. Carter, P. A. Madden

Research output: Contribution to journalArticle

44 Scopus citations

Abstract

A method for producing pseudopotentials from first principles for use with orbitalfree density functional is presented. In several metallic systems, the orbital-free approach reproduces the results of Kohn-Sham calculations with non-local pseudopotentials with considerably less computational effort.

Original languageEnglish (US)
Pages (from-to)37-42
Number of pages6
JournalEurophysics Letters
Volume41
Issue number1
DOIs
StatePublished - Jan 1 1998
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physics and Astronomy(all)

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