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Title: Range separated hybrids of pair coupled cluster doubles and density functionals

Journal Article · · Physical Chemistry Chemical Physics. PCCP (Print)
DOI:https://doi.org/10.1039/C5CP02773J· OSTI ID:1387326
 [1];  [1];  [2];  [2]
  1. Department of Chemistry; Rice University; Houston; USA
  2. Department of Chemistry; Rice University; Houston; USA; Department of Physics and Astronomy
+ Show Author Affiliations

Using the technique of range separation, we combine pair coupled cluster doubles (pCCD) with density functionals in order to incorporate dynamic correlation in pCCD while maintaining its low cost.

Research Organization:
Energy Frontier Research Centers (EFRC) (United States). Center for the Computational Design of Functional Layered Materials (CCDM)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
DOE Contract Number:
SC0012575
OSTI ID:
1387326
Journal Information:
Physical Chemistry Chemical Physics. PCCP (Print), Vol. 17, Issue 34; Related Information: CCDM partners with Temple University (lead); Brookhaven National Laboratory; Drexel University; Duke University; North Carolina State University; Northeastern University; Princeton University; Rice University; University of Pennsylvania; ISSN 1463-9076
Publisher:
Royal Society of Chemistry
Country of Publication:
United States
Language:
English

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