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...

Descripción completa

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

Internet

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

Ejemplares similares