Article ID Journal Published Year Pages File Type
5389639 Chemical Physics Letters 2006 6 Pages PDF
Abstract
The deviation Δ(η) of the single excitation perturbation based on the locally projected MO from the counterpoise corrected SCF binding energy BECP is uniformly small for 24 water clusters.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
The single excitation perturbation expansion theory based on the locally projected molecular orbitals for molecular interaction: Comparison with the counterpoise corrected energy
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