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

doi:10.1063/1.433773

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

Chemistry

Research output: Contribution to journal › Article › peer-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 language	English (US)
Pages (from-to)	5130-5132
Number of pages	3
Journal	The Journal of Chemical Physics
Volume	66
Issue number	11
DOIs	https://doi.org/10.1063/1.433773
State	Published - Jan 1 1977

ASJC Scopus subject areas

Physics and Astronomy(all)
Physical and Theoretical Chemistry

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10.1063/1.433773

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

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.",

author = "Sid Topiol and Frost, {A. A.} and Moskowitz, {J. W.} and Ratner, {M. A.}",

year = "1977",

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AU - Frost, A. A.

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AU - Ratner, M. A.

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