Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules-Reference-Cited by-同舟云学术

Reference dependence of the two-determinant coupled-cluster method for triplet and open-shell singlet states of biradical molecules

Published:2018-04-28 Issue:16 Volume:148 Page:164102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:The Journal of Chemical Physics

Author:

Lutz Jesse J.¹²^ORCID,Nooijen Marcel³^ORCID,Perera Ajith²,Bartlett Rodney J.²

Affiliation:

1. Air Force Institute of Technology, Wright-Patterson Air Force Base, Ohio 45433, USA

2. Quantum Theory Project, University of Florida, Gainesville, Florida 32611, USA

3. Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada

Funder

Oak Ridge Associated Universities

Engineer Research and Development Center

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/1.5025170

Reference82 articles.

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

2. Coupled-cluster theory in quantum chemistry

3. R. J. Bartlett, M. Musial, V. F. Lotrich, and T. Kus, in Recent Progress in Coupled-Cluster Methods, edited by P. Carsky, J. Paldus, and J. Pittner (Springer, Dordrecht, 2010), Chap. 1, Vol. 11, pp. 1–34.

4. A full coupled‐cluster singles and doubles model: The inclusion of disconnected triples

5. Towards a full CCSDT model for electron correlation

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