Short communication, Note

HFB-SCF-RPA Treatment of Molecular Excitations

B. Lukman ; Department of Chemistry, University of Ljubljana
A. Ažman ; Chemical Institute Boris Kidric, Ljubljana, Slovenia, Yugoslavia

Abstract

Very recently the Hartree-Fock-Bogoliubov self-consistent-field (HFB:
SCF) method was applied to molecular systems1• It was shown that the energy is not an appropriate quantity to show to which extent the pairing interaction is involved and the suggestion was given that perhaps other quantities are more sensitive. In recent time the RPA2 with the Hartree-Fock ground state wave function as the zero order wave function has proved to be very successful in calculating the excitation energies of molecules.

Keywords

Hrčak ID:

197579

URI

https://hrcak.srce.hr/197579

Publication date:

1.4.1970.

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