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Excited-State Polarizabilities: A Combined Density Functional Theory and Information-Theoretic Approach Study

Accurate and efficient determination of excited-state polarizabilities (α) is an open problem both experimentally and computationally. Following our previous work, (Phys. Chem. Chem. Phys. 2023, 25, 2131−2141), in which we employed simple ground-state (S(0)) density-related functions from the inform...

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Detalles Bibliográficos
Autores principales: Zhao, Dongbo, He, Xin, Ayers, Paul W., Liu, Shubin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10058485/
https://www.ncbi.nlm.nih.gov/pubmed/36985548
http://dx.doi.org/10.3390/molecules28062576