Benchmarking total energies with Hund's J terms in Hubbard-corrected spin-crossover chemistry

Fuente: arXiv

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Bibliographic Details
Main Authors:	MacEnulty, Lórien, de Mendonça, João Paulo Almeida, Poloni, Roberta, O'Regan, David D.
Format:	Preprint
Published:	2025
Subjects:	Strongly Correlated Electrons Materials Science Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2508.01979