Gaussian geminal basis set optimization with crude SCF reference state

Ludwik Adamowicz, Andrzej J. Sadlej

Research output: Contribution to journalArticlepeer-review

37 Scopus citations


Gaussian geminal basis functions for second-order correlation energy calculations according to the Sinanoǧlu method are optimized with reference to rather crude SCF functions. The optimized geminal basis set is then used in a one-step calculation of the correlation energy with respect to the near-Hartree-Fock reference State. The numerical results for the beryllium atom indicate the usefulness of the proposed technique.

Original languageEnglish (US)
Pages (from-to)305-310
Number of pages6
JournalChemical Physics Letters
Issue number2
StatePublished - Jun 1 1977

ASJC Scopus subject areas

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


Dive into the research topics of 'Gaussian geminal basis set optimization with crude SCF reference state'. Together they form a unique fingerprint.

Cite this