Massively Parallel Implementation of Explicitly Correlated Coupled-Cluster Singles and Doubles Using TiledArray Framework
Author:
Affiliation:
1. Department of Chemistry, Virginia Tech, Blacksburg, Virginia 24061, United States
Funder
Division of Chemistry
Camille and Henry Dreyfus Foundation
Division of Advanced Cyberinfrastructure
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpca.6b10150
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5. Coupled cluster theory that takes care of the correlation cusp by inclusion of linear terms in the interelectronic coordinates
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