GW 100: Benchmarking G ₀ W ₀ for Molecular Systems

Journal Article · Wed Nov 11 00:00:00 EST 2015 · Journal of Chemical Theory and Computation

DOI:https://doi.org/10.1021/acs.jctc.5b00453· OSTI ID:1229689

van Setten, Michiel J. ^[1]; Caruso, Fabio ^[2]; Sharifzadeh, Sahar ^[3]; Ren, Xinguo ^[4]; Scheffler, Matthias ^[5]; Liu, Fang ^[6]; Lischner, Johannes ^[7]; Lin, Lin; Deslippe, Jack R. ^[8]; Louie, Steven G. ^[7]; Yang, Chao; Weigend, Florian ^[9]; Neaton, Jeffrey B. ^[10]; Evers, Ferdinand ^[11]; Rinke, Patrick ^[12]

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1. Nanoscopic Physics, Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Louvain-la-Neuve, 1348, Belgium, Institute of Nanotechnology and 3Institute of Physical Chemistry, Karlsruhe Institute of Technology Campus North, Karlsruhe, 76344 Germany
2. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, 14195, Germany, Department of Materials, University of Oxford, Oxford, OX1 3PH, United Kingdom
3. Department of Electrical and Computer Engineering, Department of Physics, Division of Materials Science and Engineering, Boston University, Boston, Massachusetts 02215, United States
4. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, 14195, Germany, Key Laboratory of Quantum Information, University of Science and Technology of China, Hefei, 230026, China
5. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, 14195, Germany
6. School of Applied Mathematics, Central University of Finance and Economics, Beijing, China
7. Department of Physics, University of California, Berkeley, California 94720, United States
8. National Energy Research Scientific Computing Center, Berkeley, California 94720, United States
9. Institute of Nanotechnology and 3Institute of Physical Chemistry, Karlsruhe Institute of Technology Campus North, Karlsruhe, 76344 Germany
10. Department of Physics, University of California, Berkeley, California 94720, United States, Kavli Energy NanoSciences Institute at Berkeley, Berkeley, California 94720 United States
11. Institute of Theoretical Physics, University of Regensburg, Regensburg, 93040, Germany
12. Fritz-Haber-Institut der Max-Planck-Gesellschaft, Berlin, 14195, Germany, COMP/Department of Applied Physics, Aalto University School of Science, Aalto 00076, Finland

• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Grant/Contract Number: AC02-05CH11231
• OSTI ID: 1229689
• Journal Information: Journal of Chemical Theory and Computation, Journal Name: Journal of Chemical Theory and Computation Vol. 11 Journal Issue: 12; ISSN 1549-9618
• Publisher: American Chemical Society
• Country of Publication: United States
• Language: English