Many-body perturbation theoretical studies of the dipole moments, polarizabilities, and electron affinities of LiF and BeO

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Abstract
Second‐order many‐body perturbation theory is employed to obtain correlated values of the dipole moments,polarizabilities, and electron affinities of the isoelectronic LiF and BeO molecules. At their equilibrium bond lengths, correlation is found to decrease the dipole moments of LiF and BeO by 0.17 and 0.16 D, respectively, and to increase the mean polarizabilities by 2.35 and 8.81a 3 0, respectively. The net effect of the inclusion of electron correlation is to increase the electron affinity of LiF by 0.02 eV and to decrease that of BeO by 0.13 eV. The redaction of the BeO electron affinity by electron correlation is attributed to the large decrease of the dipole moment from its Hartree–Fock value.