Fourth-order many-body perturbation-theory study of the electron-correlation contribution to polarizabilities of Ne

Abstract

Different electric polarizabilities of Ne are calculated by using the complete fourth-order many-body perturbation-theory (MBPT) method and a partly optimized set of Gaussian-type orbital and contracted Gaussian-type orbital basis functions. The results obtained by the MBPT method (dipole polarizability \ensuremath{\alpha}=2.712 a.u., dipole hyperpolarizability \ensuremath{\gamma}=104.6 a.u., quadrupole polarizability C=3.85 a.u., dipole-quadrupole polarizability B=-17.75 a.u.) are considered as the best currently available theoretical estimates. The importance of the electron-correlation contribution is demonstrated by the comparison with the corresponding self-consistent-field Hartree-Fock results (\ensuremath{\alpha}=2.374 a.u., \ensuremath{\gamma}=63.9 a.u., C=3.20 a.u., B=-12.75 a.u.).