Abstract
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 language | English (US) |
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Pages (from-to) | 305-310 |
Number of pages | 6 |
Journal | Chemical Physics Letters |
Volume | 48 |
Issue number | 2 |
DOIs | |
State | Published - Jun 1 1977 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry