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Our recent pseudopotential results for Cu2, Ag2, CuH, and AgH [J. Chem. Phys. 79, 5532 (1983)] are refined in two ways: (i) the density-functional approximation for valence correlation is replaced by a CI treatment, and (ii) the dipole polarization potential describing core-valence correlation is supplemented by a quadrupole correction term.
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Stoll et al. (1984) studied this question.
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