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Stable, Fast, and Accurate Kohn-Sham Inversion in Gaussian Basis for Open Shell Molecular and Condensed Phase Systems via Density Matrix Penalization

Fuente: arXiv

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Bibliographic Details
Main Authors:	Chai, Ziwei, Luber, Sandra
Format:	Preprint
Published:	2026
Subjects:	Chemical Physics Computational Physics
Online Access:	Acceder al recurso
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