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Title: Assessing combinations of singlet-paired coupled cluster and density functional theory for treating electron correlation in closed and open shells

Journal Article · · Molecular Physics
ORCiD logo [1];  [2];  [3];  [4];  [4]
  1. Department of Chemistry, Rice University, Houston, TX, USA; Applied Physics Graduate Program, Rice University, Houston, TX, USA
  2. Department of Chemistry, Rice University, Houston, TX, USA
  3. The Dow Chemical Company, Midland, Michigan, USA
  4. Department of Chemistry, Rice University, Houston, TX, USA; Department of Physics and Astronomy, Rice University, Houston, TX, USA
+ Show Author Affiliations

Not provided.

Research Organization:
Rice Univ., Houston, TX (United States)
Sponsoring Organization:
USDOE Office of Science (SC)
DOE Contract Number:
FG02-04ER15523
OSTI ID:
1800150
Journal Information:
Molecular Physics, Vol. 118, Issue 4; ISSN 0026-8976
Publisher:
Taylor & Francis
Country of Publication:
United States
Language:
English

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Recoupling the singlet- and triplet-pairing channels in single-reference coupled cluster theory journal October 2016
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  • Gusarov, Sergey; Malmqvist, Per-�ke; Lindh, Roland
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Related Subjects

Chemistry
Physics