A new, simple ab initio pseudopotential for use in FSGO calculations: Application to some lithium compounds

Sid Topiol*, A. A. Frost, J. W. Moskowitz, M. A. Ratner

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

A new model potential designed for use within an FSGO framework is proposed. Results of calculation using this new model for Li compounds are in good agreement with all-electron FSGO results.

Original languageEnglish (US)
Pages (from-to)5130-5132
Number of pages3
JournalThe Journal of Chemical Physics
Volume66
Issue number11
DOIs
StatePublished - Jan 1 1977

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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