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Accelerating Core-Level GW Calculations by Combining the Contour Deformation Approach with the Analytic Continuation of W

[Image: see text] In recent years, the GW method has emerged as a reliable tool for computing core-level binding energies. The contour deformation (CD) technique has been established as an efficient, scalable, and numerically stable approach to compute the GW self-energy for deep core excitations. H...

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Detalles Bibliográficos
Autores principales: Panadés-Barrueta, Ramón L., Golze, Dorothea
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10448726/
https://www.ncbi.nlm.nih.gov/pubmed/37566917
http://dx.doi.org/10.1021/acs.jctc.3c00555