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Restricted Ensemble-Referenced Kohn-Sham versus Broken Symmetry Approaches in Density Functional Theory:  Magnetic

Ibério de P R Moreira1, Ramon Costa1, Michael Filatov1

  • 1Departament de Química Física & CeRQT and Departament de Química Inorgànica & CeRQT, Universitat de Barcelona i Parc Científic de Barcelona, C/ Martí i Franquès 1, E-08028 Barcelona, Spain, and Theoretical Chemistry, Materials Science Centre, University of Groningen, Nijenborgh 4, 9747 AG Groningen, The Netherlands.

Journal of Chemical Theory and Computation
|December 3, 2015
PubMed

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