A Flexible, Automated, and Basis-Set Insensitive Domain-Based Charge-Transfer Decomposition for Correlated Wavefunctions and its Application to Inter- and Intramolecular Cases

Fuente: arXiv
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Bibliographic Details
Main Authors: Szczuczko, Lena, Szczuczko, Julia, Gałyńska, Marta, Boguslawski, Katharina
Format: Preprint
Published: 2026
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