Abstract

The multiconfiguration Hartree-Fock theory and many-body perturbation theory are combined in a calculation of the correlation energy of the ground state of the neutral beryllium atom. For this purpose the two-component Be multiconfiguration Hartree-Fock wave function is treated as a reference state and perturbation theory is used to systematically improve upon the accuracy of this function. The correlation energy of each pair of occupied orbitals is determined by solving numerically a coupled set of two-particle inhomogeneous equations. A detailed comparison is made with other beryllium calculations.

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