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Efficient periodic density functional theory calculations of charged molecules and surfaces using Coulomb kernel truncation

Fuente: arXiv

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Dettagli Bibliografici
Autori principali:	Vijay, Sudarshan, Schlipf, Martin, Miranda, Henrique, Karsai, Ferenc, Kaltak, Merzuk, Marsman, Martijn, Kresse, Georg
Natura:	Preprint
Pubblicazione:	2025
Soggetti:	Materials Science Chemical Physics
Accesso online:	Acceder al recurso
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