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

A. Császár, Matthew L. Leininger

Research output: Article

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
JournalThe Journal of Chemical Physics
Volume114
Issue number13
DOIs
Publication statusPublished - ápr. 1 2001

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configuration interaction
Demonstrations
scaling
energy

ASJC Scopus subject areas

  • Atomic and Molecular Physics, and Optics

Cite this

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