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Coupling all-electron full-potential density functional theory with grid-based continuum embeddings

Fuente: arXiv

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Bibliographic Details
Main Authors:	Filser, Jakob, Bainglass, Edan, Reuter, Karsten, Andreussi, Oliviero
Format:	Preprint
Published:	2025
Subjects:	Computational Physics
Online Access:	Acceder al recurso
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