Abstract
Many-body perturbation theory is applied to LiH, BH, and HF within the Slater orbital basis sets of Cade and Huo. Both a VV and a VN−1 potential for the “virtual” orbitals are considered. The energies obtained with the VV orbitals or the VN−1 set are comparable when the third-order contributions are included. The calculated correlation energy for HF is -0.2897 hartree or about 76% of the experimental value.
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