Extending orbital-optimized density functional theory to L-edge XPS and beyond: Spin-orbit coupling via non-orthogonal quasi-degenerate perturbation theory

Fuente: arXiv

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Bibliographic Details
Main Authors:	Kang, Richard, Cunha, Leonardo A., Hait, Diptarka, Head-Gordon, Martin
Format:	Preprint
Published:	2025
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2505.14570