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Inorganic Chemistry

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Materials Science

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Theoretical and Computational Chemistry

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Non-Orthogonal Configuration Interaction

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2 results in Keywords: Non-Orthogonal Configuration Interaction

Theoretical and Computational Chemistry

Generalized Single Excitation Configuration Interaction: An Investigation into the Impact of the Inclusion of Non-Orthogonality on the Calculation of Core-Excited States

Katherine J. Oosterbaan, Alec F. White, Diptarka Hait, Martin Head-Gordon

Version 1 posted 13 December 2019

457

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Inorganic Chemistry

Ab Initio Non-Covalent Crystal Field Theory for Lanthanide Complexes: A Multiconfigurational Non-Orthogonal Group Functions Approach

Alessandro Soncini, MATTEO PICCARDO

Version 1 posted 18 February 2020

467

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