Prediction of the Ground-State Electronic Structure from Core-Loss Spectra of Organic Molecules by Machine Learning

[Image: see text] The core-loss spectrum reflects the partial density of states (PDOS) of the unoccupied states at the excited state and is a powerful analytical technique to investigate local atomic and electronic structures of materials. However, various molecular properties governed by the ground...

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Detalles Bibliográficos
Autores principales: Chen, Po-Yen, Shibata, Kiyou, Hagita, Katsumi, Miyata, Tomohiro, Mizoguchi, Teruyasu
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10226108/
https://www.ncbi.nlm.nih.gov/pubmed/37199249
http://dx.doi.org/10.1021/acs.jpclett.3c00142

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10226108/
https://www.ncbi.nlm.nih.gov/pubmed/37199249
http://dx.doi.org/10.1021/acs.jpclett.3c00142

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