Pseudopotential calculations using the FSGO Method

Application to first-row hydrides

Sid Topiol, Arthur A. Frost, Mark A Ratner, Jules W. Moskowitz, Carl F. Melins

Research output: Contribution to journalArticle

Abstract

Various pseudopotential schemes are examined in floating spherical Gaussian orbital (FSGO) calculations on the first row hydrides to help determine which pseudopotential scheme, if any, would be most useful in the FSGO method.

Original languageEnglish
Pages (from-to)177-183
Number of pages7
JournalTheoretica Chimica Acta
Volume45
Issue number3
DOIs
Publication statusPublished - Jan 1 1977

Keywords

  • First row hydrides
  • Floating spherical Gaussian orbital method

ASJC Scopus subject areas

  • Chiropractics

Cite this

Pseudopotential calculations using the FSGO Method : Application to first-row hydrides. / Topiol, Sid; Frost, Arthur A.; Ratner, Mark A; Moskowitz, Jules W.; Melins, Carl F.

In: Theoretica Chimica Acta, Vol. 45, No. 3, 01.01.1977, p. 177-183.

Research output: Contribution to journalArticle

Topiol, Sid ; Frost, Arthur A. ; Ratner, Mark A ; Moskowitz, Jules W. ; Melins, Carl F. / Pseudopotential calculations using the FSGO Method : Application to first-row hydrides. In: Theoretica Chimica Acta. 1977 ; Vol. 45, No. 3. pp. 177-183.
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