The grid-based fast multipole method – a massively parallel numerical scheme for calculating two-electron interaction energies
Author:
Affiliation:
1. Department of Chemistry
2. University of Helsinki
3. Finland
Abstract
A grid-based fast multipole method has been developed for calculating two-electron interaction energies for non-overlapping charge densities.
Publisher
Royal Society of Chemistry (RSC)
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://pubs.rsc.org/en/content/articlepdf/2015/CP/C5CP01173F
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1. Generating Efficient Quantum Chemistry Codes for Novel Architectures
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