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

Sid Topiol, A. A. Frost, J. W. Moskowitz, Mark A Ratner

Research output: Contribution to journalArticle

5 Citations (Scopus)

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
Pages (from-to)5130-5132
Number of pages3
JournalJournal of Chemical Physics
Volume66
Issue number11
Publication statusPublished - 1977

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Lithium Compounds
lithium compounds
pseudopotentials
Electrons
electrons

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

A new, simple ab initio pseudopotential for use in FSGO calculations : Application to some lithium compounds. / Topiol, Sid; Frost, A. A.; Moskowitz, J. W.; Ratner, Mark A.

In: Journal of Chemical Physics, Vol. 66, No. 11, 1977, p. 5130-5132.

Research output: Contribution to journalArticle

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