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N-centered ensemble density-functional theory for open systems |
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| Authors: | Bruno Senjean Emmanuel Fromager |
| Affiliation: | 1. Instituut-Lorentz, Universiteit Leiden, RA Leiden, The Netherlands;2. Laboratoire de Chimie Quantique, Institut de Chimie, CNRS/Université de Strasbourg, Strasbourg, France |
| Abstract: | |
| Keywords: | embedding ensemble density-functional theory fractional electron number grand canonical energy open systems |