The scaling approach to multicenter molecular integrals with Slater-type orbitals

Duckhwan Lee, Herschel Rabitz

Research output: Contribution to journalArticle

3 Scopus citations

Abstract

A scaling approach to multicenter molecular integrals with Slater-type orbitals (STOs) is presented. The result is significant in that it shows (1) the existence of a simple relationship between multicenter integrals and (2) an implied computational savings. Operation count estimates indicate that the significant savings would occur for a system having large numbers of STOs on each atom.

Original languageEnglish (US)
Pages (from-to)187-190
Number of pages4
JournalChemical Physics Letters
Volume106
Issue number3
DOIs
StatePublished - Apr 20 1984

All Science Journal Classification (ASJC) codes

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

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