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Origin-Independent Dynamic Polarizability Density from Coupled Cluster Response Theory

[Image: see text] The calculation of the origin-independent density of the dynamic electric dipole polarizability, previously presented for uncorrelated and density functional theory (DFT)-based methods, has been developed and implemented at the coupled cluster singles and doubles (CCSD) level of th...

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Detalles Bibliográficos
Autores principales: Summa, F. F., Andersen, J. H., Lazzeretti, P., Sauer, S. P. A., Monaco, G., Coriani, S., Zanasi, R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10601476/
https://www.ncbi.nlm.nih.gov/pubmed/37796868
http://dx.doi.org/10.1021/acs.jctc.3c00753