The localized Hartree–Fock and the open-shell LHF (OSLHF) approaches are reviewed and rederived under a unique formalism. Three different treatments of the OSLHF correction term are discussed and results for excitation energies are presented for small-and medium-size closed-and open-shell molecules.
1 May 2007
Volume: 117 Issue: 5-6 Pages: 981-989
Theoretical Chemistry Accounts