DOI: 10.1016/j.cpc.2017.01.008. Improved treatment of exact exchange in Quantum ESPRESSO

Improved treatment of exact exchange in Quantum ESPRESSO

10.1016/j.cpc.2017.01.008

Crossref journal-article

Elsevier BV

Computer Physics Communications (78)

Bibliography

Barnes, T. A., Kurth, T., Carrier, P., Wichmann, N., Prendergast, D., Kent, P. R. C., & Deslippe, J. (2017). Improved treatment of exact exchange in Quantum ESPRESSO. Computer Physics Communications, 214, 52â58.

Authors 7

Taylor A. Barnes (first)
Thorsten Kurth (additional)
Pierre Carrier (additional)
Nathan Wichmann (additional)
David Prendergast (additional)
Paul R.C. Kent (additional)
Jack Deslippe (additional)

References 28 Referenced 43

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{'key': '10.1016/j.cpc.2017.01.008_b25', 'first-page': '395502', 'volume': '21', 'author': 'Giannozzi', 'year': '2009', 'journal-title': 'J. Phys.: Condens. Matter.'} / J. Phys.: Condens. Matter. by Giannozzi (2009)
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NERSC: http://www.nersc.gov
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Dates

Type	When
Created	8 years, 7 months ago (Jan. 18, 2017, 2:18 p.m.)
Deposited	4 years, 4 months ago (April 10, 2021, 2 p.m.)
Indexed	1 day, 12 hours ago (Aug. 29, 2025, 6:10 a.m.)
Issued	8 years, 3 months ago (May 1, 2017)
Published	8 years, 3 months ago (May 1, 2017)
Published Print	8 years, 3 months ago (May 1, 2017)

Funders 3

Office of Science of the US Department of Energy
Awards1
1. DE-AC02-05CH11231
Office of Science 10.13039/100006132
Region: Americas
gov (National government)
Labels8
1. U.S. DOE Office of Science
2. DOE Office of Science
3. DOE's Office of Science
4. Department of Energy's (DOE's) Office of Science
5. The DOE Office of Science
6. U.S. Department of Energy Office of Science
7. U.S. Dept. of Energy Office of Science
8. SC
Awards1
1. DE-AC02-05CH11231
Office of Basic Energy Sciences of the United States Department of Energy

BibTeX

@article{Barnes_2017, title={Improved treatment of exact exchange in Quantum ESPRESSO}, volume={214}, ISSN={0010-4655}, url={http://dx.doi.org/10.1016/j.cpc.2017.01.008}, DOI={10.1016/j.cpc.2017.01.008}, journal={Computer Physics Communications}, publisher={Elsevier BV}, author={Barnes, Taylor A. and Kurth, Thorsten and Carrier, Pierre and Wichmann, Nathan and Prendergast, David and Kent, Paul R.C. and Deslippe, Jack}, year={2017}, month=may, pages={52–58} }

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