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Double k-Grid Method for Solving the Bethe-Salpeter Equation via Lanczos Approaches

Convergence with respect to the size of the k-points sampling grid of the Brillouin zone is the main bottleneck in the calculation of optical spectra of periodic crystals via the Bethe-Salpeter equation (BSE). We tackle this challenge by proposing a double grid approach to k-sampling compatible with...

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Detalles Bibliográficos
Autores principales:	Alliati, Ignacio M., Sangalli, Davide, Grüning, Myrta
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2022
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8811451/ https://www.ncbi.nlm.nih.gov/pubmed/35127640 http://dx.doi.org/10.3389/fchem.2021.763946

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