The Hartree–Fock Exchange for Crystalline Systems: The Implementation with an ( All-Electron ) Gaussian-Type Basis Set and Numerical Evidence with Reference to Perovskites

Journal of Chemical Theory and Computation 2026 Open access

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Authors: Roberto Dovesi, K. Doll, Mauro Causà, Michel Rérat, Philippe D’Arco

DOI: 10.1021/acs.jctc.6c00118

Cited by: 1

References: 85

Fields of Study & Subjects

Organic and Molecular Conductors Research Physics of Superconductivity and Magnetism Advanced Condensed Matter Physics

References 85