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Machine learning dielectric screening for the simulation of excited state properties of molecules and materials

Accurate and efficient calculations of absorption spectra of molecules and materials are essential for the understanding and rational design of broad classes of systems. Solving the Bethe–Salpeter equation (BSE) for electron–hole pairs usually yields accurate predictions of absorption spectra, but i...

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Detalles Bibliográficos
Autores principales: Dong, Sijia S., Govoni, Marco, Galli, Giulia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8179553/
https://www.ncbi.nlm.nih.gov/pubmed/34163744
http://dx.doi.org/10.1039/d1sc00503k