PyGSC: A Python tool for correcting Kohn-Sham orbital energies by mitigating the delocalization error of density functional approximations

Fuente: arXiv

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Bibliographic Details
Main Authors:	An, Zipeng, Yang, Xiaolong, Zheng, Xiao, Yang, Weitao
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics
Online Access:	Acceder al recurso
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Internet

https://arxiv.org/abs/2604.04076