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 - 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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@article{5ef7715add1946d9864c51e1947794bc,

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",

doi = "10.1063/1.433773",

language = "English (US)",

volume = "66",

pages = "5130--5132",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics Publising LLC",

number = "11",

}

TY - JOUR

T1 - A new, simple ab initio pseudopotential for use in FSGO calculations

T2 - Application to some lithium compounds

AU - Topiol, Sid

AU - Frost, A. A.

AU - Moskowitz, J. W.

AU - Ratner, M. A.

PY - 1977

Y1 - 1977

N2 - 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.

AB - 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.

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U2 - 10.1063/1.433773

DO - 10.1063/1.433773

M3 - Article

AN - SCOPUS:36749120877

VL - 66

SP - 5130

EP - 5132

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

SN - 0021-9606

IS - 11

ER -

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

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