Abstract
Abstract Using the pseudopotential and frozen-core Hartree-Fock-Slater LCAO methods we have calculated electric multipole moments, the diamagnetic susceptibility, potential, electric field, electric field gradient and diamagnetic shielding for the molecules HF, HCl, LiH, LiF, LiCl, CO, CO 2 , C 2 H 2 and C 2 H 4 . The pseudopotential method is found to reproduce frozen-core results very well, if the pseudo-orbitals are core orthogonalized. The calculated dipole and quadrupole moments agree well with the available Hartree-Fock and experimental values.
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