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Density of Avoided Crossings and Diabatic Representation

Electronic structure theory describes the properties of solids using Bloch states that correspond to highly symmetrical nuclear configurations. However, nuclear thermal motion destroys translation symmetry. Here, we describe two approaches relevant to the time evolution of electronic states in the p...

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Detalles Bibliográficos
Autores principales:	Obzhirov, Anatoly E., Heller, Eric J.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10217121/ https://www.ncbi.nlm.nih.gov/pubmed/37238506 http://dx.doi.org/10.3390/e25050751

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