Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations-Reference-Cited by-同舟云学术

Pushing configuration-interaction to the limit: Towards massively parallel MCSCF calculations

Published:2017-11-14 Issue:18 Volume:147 Page:184111
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Vogiatzis Konstantinos D.¹^ORCID,Ma Dongxia¹,Olsen Jeppe²^ORCID,Gagliardi Laura¹^ORCID,de Jong Wibe A.³^ORCID

Affiliation:

1. Department of Chemistry, Minnesota Supercomputing Institute, and Chemical Theory Center, University of Minnesota, 207 Pleasant Street Southeast, Minneapolis, Minnesota 55455-0431, USA

2. Department of Chemistry, Aarhus University, Langelandsgade 140, 8000 Aarhus C, Denmark

3. Computational Research Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA

Funder

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.4989858

Reference44 articles.

1. Dynamical and Nondynamical Correlation

2. Left-right correlation energy

3. The two faces of static correlation

4. Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

5. A new direct CI method for large CI expansions in a small orbital space

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