Range separated hybrids of pair coupled cluster doubles and density functionals
Journal Article
·
· Physical Chemistry Chemical Physics. PCCP (Print)
- Department of Chemistry; Rice University; Houston; USA
- Department of Chemistry; Rice University; Houston; USA; Department of Physics and Astronomy
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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