Coupled Multiconfigurational Self-Consistent-Field Method for Atomic Dipole Polarizabilities. II. Application to the First-Row Atoms, Lithium through Neon

Abstract

Static dipole polarizabilities, accurate to within 5% are presented for the ground states and some valence excited states of the first-row atoms. The polarizabilities are obtained from multiconfigurational self-consistent-field wave functions, which were computed with the perturbing electric field included directly in the Hamiltonian. The use of the multiconfigurational framework allows any state of both degenerate and nondegenerate atoms to be considered, and also allows for the explicit introduction of electron-correlation effects. Detailed discussions of basis-set selection and the effects of electron correlation are presented along with comparisons with experimental and other theoretical polarizability results.