Coupled-cluster techniques for computational chemistry: The CFOUR program package-Reference-Cited by-同舟云学术

Coupled-cluster techniques for computational chemistry: The CFOUR program package

Published:2020-06-07 Issue:21 Volume:152 Page:214108
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Matthews Devin A.¹^ORCID,Cheng Lan²^ORCID,Harding Michael E.³^ORCID,Lipparini Filippo⁴^ORCID,Stopkowicz Stella⁵^ORCID,Jagau Thomas-C.⁶^ORCID,Szalay Péter G.⁷^ORCID,Gauss Jürgen⁵^ORCID,Stanton John F.⁸^ORCID

Affiliation:

1. Department of Chemistry, Southern Methodist University, Dallas, Texas 75275, USA

2. Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218, USA

3. Institut für Physikalische Chemie, Karlsruher Institut für Technologie (KIT), Kaiserstr. 12, D-76131 Karlsruhe, Germany

4. Dipartimento di Chimica e Chimica Industriale, Università di Pisa, Via G. Moruzzi 13, I-56124 Pisa, Italy

5. Department Chemie, Johannes Gutenberg-Universität Mainz, Duesbergweg 10-14, D-55128 Mainz, Germany

6. Department of Chemistry, University of Munich (LMU), Butenandtstr. 5-13, D-81377 Munich, Germany

7. ELTE Eötvös Loránd University, Institute of Chemistry, Pázmány Péter sétány 1/A, H-1117 Budapest, Hungary

8. Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611, USA

Funder

US National Science Foundation

Deutsche Forschungsgemeinschaft

Alexander von Humboldt Foundation

National Research, Innovation and Development Fund of Hungary

U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under

Fonds der Chemischen Industrie

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/pdf/10.1063/5.0004837

Reference436 articles.

1. Many-Body Perturbation Theory and Coupled Cluster Theory for Electron Correlation in Molecules

2. Many – Body Methods in Chemistry and Physics

3. Coupled‐cluster open‐shell analytic gradients: Implementation of the direct product decomposition approach in energy gradient calculations

4. A direct product decomposition approach for symmetry exploitation in many‐body methods. I. Energy calculations

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