Approximating the Shifted Hartree-Exchange-Correlation Potential in Direct Energy Kohn–Sham Theory
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- Daniel J. Sharpe
- Department of Chemistry, Durham University, South Road, Durham, DH1 3LE U.K.
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- Mel Levy
- Department of Chemistry, Duke University, Durham, North Carolina 27708 United States
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- David J. Tozer
- Department of Chemistry, Durham University, South Road, Durham, DH1 3LE U.K.
収録刊行物
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- Journal of Chemical Theory and Computation
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Journal of Chemical Theory and Computation 14 (2), 684-692, 2018-01-24
American Chemical Society (ACS)