Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]-Reference-Cited by-同舟云学术

Communication: An improved linear scaling perturbative triples correction for the domain based local pair-natural orbital based singles and doubles coupled cluster method [DLPNO-CCSD(T)]

Published:2018-01-07 Issue:1 Volume:148 Page:011101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Guo Yang¹,Riplinger Christoph¹,Becker Ute¹,Liakos Dimitrios G.¹,Minenkov Yury²^ORCID,Cavallo Luigi²^ORCID,Neese Frank¹

Affiliation:

1. Max Planck Institut für Chemische Energiekonversion, Stiftstr. 34-36, D-45470 Mülheim an der Ruhr, Germany

2. King Abdullah University of Science and Technology (KAUST), Physical Science and Engineering Division (PSE), KAUST Catalysis Center (KCC), 23955-6900 Thuwal, Saudi Arabia

Funder

Deutsche Forschungsgemeinschaft

Max-Planck-Gesellschaft

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/1.5011798

Reference39 articles.

1. Correlation Problems in Atomic and Molecular Systems. IV. Extended Coupled-Pair Many-Electron Theory and Its Application to the BH3Molecule

2. Recursive intermediate factorization and complete computational linearization of the coupled-cluster single, double, triple, and quadruple excitation equations