SEARCH Articles Figures Tables An Ab Initio HF-LCAO Calculation Basis Sets and Pseudopotentials in Periodic LCAO Calculations Gaussian Form of Effective Core Potentials and Valence Basis Sets in Periodic LCAO Calculations Gaussian basis sets electronic structure calculation. LCAO Hartree-Fock LCAO calculation Hartree-Fock-Slater LCAO calculations Implementation of Kohn-Sham LCAO Method in Crystals Calculations LCAO LCAO Calculations of Perfect-crystal Properties LCAO approximation calculations LCAO-MO-SCF calculations LCAOs