Abstract

The results of the calculation on the C∞v He–H2 van der Waals molecule by employing the diagrammatic many-body theory to treat the electron correlation effects are reported in this paper. The use of the partial counterpoise method to compute the self-consistent field (SCF) and correlation energies, when a moderate basis set is employed, may lead to a reliable description of the potential curve for the van der Waals (VDW) system.

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