Abstract: | The formalism of strictly localized geminals (SLGs ) is summarized. It is shown that the SLG wave function serves as an appropriate multiconfigurational reference state that can easily be improved by perturbational, CI - or coupled cluster-type procedures. The possibility of expanding the geminals in the basis set of localized Hartree-Fock molecular orbitals (LMOs ) is discussed. Sample calculations on H4, CH4, H2O, and He…?He systems are reported. © 1994 John Wiley & Sons, Inc. |