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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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Bibliographische Detailangaben
Hauptverfasser:	An, Zipeng, Yang, Xiaolong, Zheng, Xiao, Yang, Weitao
Format:	Preprint
Veröffentlicht:	2026
Schlagworte:	Chemical Physics
Online-Zugang:	Acceder al recurso
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

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