Article ID Journal Published Year Pages File Type
5383000 Chemical Physics Letters 2012 7 Pages PDF
Abstract
► We show that the scaling in FMO can be significantly improved by the multipole method. ► Calculations of ice surfaces are accelerated 3-4 times. ► The multipole method is both accurate and fast, as shown on several basis sets.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
Preview
Reducing the scaling of the fragment molecular orbital method using the multipole method
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