Scaled higher-order correlation energies: In pursuit of the complete basis set full configuration interaction limit

Attila G. Császár, Matthew L. Leininger

Research output: Contribution to journalArticle

18 Citations (Scopus)

Abstract

Higher-order correlation energies (SHOC) obtained at lower levels of theory were scaled to arrive at the full configuration interaction (FCI) limit within a particular one-particle basis set. For demonstration of the efficiency of the scaling scheme, molecular examples BH, C2, CN, N2, CH2, H2O, HF, AlH, and H2S were considered.

Original languageEnglish
Pages (from-to)5491-5496
Number of pages6
JournalJournal of Chemical Physics
Volume114
Issue number13
DOIs
Publication statusPublished - Apr 1 2001

ASJC Scopus subject areas

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

Fingerprint Dive into the research topics of 'Scaled higher-order correlation energies: In pursuit of the complete basis set full configuration interaction limit'. Together they form a unique fingerprint.

  • Cite this