Brueckner-Hartree-Fock method for finite electronic systems

Publisher Website
Google Scholar
Abstract
A Hartree‐Fock‐like model where the electrons in their motions are surrounded by exchange‐correlation holes is described. Information about the correlation holes may be provided by Bethe‐Goldstone type pair functions. An interpretation of the new one‐particle equations is given. The theory for Bethe‐Goldstone pair functions is shortly reviewed and a simplification is suggested for the case of a Hylleraas basis set. Finally the new method is illustrated for the Li ground state and for diatomic molecules at large internuclear distance.