Optimized Quantum Drude Oscillators for Atomic and Molecular Response Properties

[Image: see text] The quantum Drude oscillator (QDO) is an efficient yet accurate coarse-grained approach that has been widely used to model electronic and optical response properties of atoms and molecules as well as polarization and dispersion interactions between them. Three effective parameters...

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Detalles Bibliográficos
Autores principales: Góger, Szabolcs, Khabibrakhmanov, Almaz, Vaccarelli, Ornella, Fedorov, Dmitry V., Tkatchenko, Alexandre
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10351863/
https://www.ncbi.nlm.nih.gov/pubmed/37385598
http://dx.doi.org/10.1021/acs.jpclett.3c01221

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10351863/
https://www.ncbi.nlm.nih.gov/pubmed/37385598
http://dx.doi.org/10.1021/acs.jpclett.3c01221

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