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- W2022895197 abstract "The method of separated molecular orbitals (SMOs) combined with the localized many-body perturbation theory (LMBPT) has already proved useful for partitioning the energy at several levels of correlation in various weakly interacting systems. The energy decomposition into different contributions according to the interacting units is discussed for a zeolite model system in the present paper. The effect of basis set superposition is also considered, using the SMO–LMBPT scheme." @default.
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- W2022895197 title "A decomposition of the total energy at the HF–SCF level and at several levels of correlation: IV. A study of the interaction in H2O–AlH2OH+NH3 at the correlated level" @default.
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