Article ID Journal Published Year Pages File Type
5382504 Chemical Physics Letters 2013 6 Pages PDF
Abstract
► A theory to evaluate effective fragment interactions in the FMO method is proposed. ► The screening effects are partially taken into account through inter-fragment correlations. ► Classical many-body theories are used to describe the effective fragment interactions. ► The feasibility and usefulness of the theory are assessed through test calculations.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Authors
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