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An Average‐of‐Configuration Method for Using Kohn—Sham Density Functional Theory in Modeling Ligand‐Field Theory.

Christian Anthon, Jesper Bendix, C. E. SCHAEFFER

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Key concepts: Chemistry, Density functional theory, Computational chemistry

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An Average‐of‐Configuration Method for Using Kohn—Sham Density Functional Theory in Modeling Ligand‐Field Theory. — Research Paper | ScholarLens