Abstract
The Be-H 2 insertion reaction is used as a model to study the application of quasidegenerate many-body perturbation theory (QDMBPT) to polyatomic molecules where the pattern of quasidegenerate orbitals varies greatly with geometry. Full active valence space QDMBPT calculations are compared with the exact solutions within the basis and with previous QDMBPT computations that retain only a pair of quasidegenerate valence orbitals.
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