Extended floating spherical Gaussian basis sets for Molecules. FSGO basis for use in advanced correlated calculations of electronic structures

Ludwik Adamowicz, Rodney J. Bartlett

Research output: Contribution to journalArticlepeer-review

3 Scopus citations

Abstract

The transformation of occupied and excited SCF orbitals expressed in Cartesian Gaussian form to a smaller, simpler set of floating spherical Gaussians is described. Illustrative applications at the correlated coupled-cluster level are presented for Lill and H2O.

Original languageEnglish (US)
Pages (from-to)365-368
Number of pages4
JournalChemical Physics Letters
Volume110
Issue number4
DOIs
StatePublished - Oct 5 1984
Externally publishedYes

ASJC Scopus subject areas

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

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