Joint refinement model for the spin resolved one-electron reduced density matrix of YTiO3 using magnetic structure factors and magnetic Compton profiles data

Author:

Gueddida Saber1ORCID,Yan Zeyin1,Kibalin Iurii2,Voufack Ariste Bolivard2,Claiser Nicolas2,Souhassou Mohamed2,Lecomte Claude2,Gillon Béatrice3,Gillet Jean-Michel1

Affiliation:

1. SPMS, UMR8580, CentraleSupelec, Université Paris-Saclay, 3 Rue Joliot-Curie, Gif-sur-Yvette 91190, France

2. CRM2, Institut Jean Barriol, Université de Lorraine and Centre National de la Recherche Scientifique, BP239, F54506 Vandoeuvre-lès-Nancy, France

3. Laboratoire Léon Brillouin, CEA, Centre National de la Recherche Scientifique, CE-Saclay, 91191 Gif-sur-Yvette, France

Funder

Agence Nationale de la Recherche

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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3. Wave functions consistent with experimental x-ray diffraction data: A hircocervus becomes reality;Chemical Physics Reviews;2024-06-01

4. N-representable one-electron reduced density matrix reconstruction with frozen core electrons;Acta Crystallographica Section A Foundations and Advances;2024-03-21

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