Excited-State Properties for Extended Systems: Efficient Hybrid Density Functional Methods

[Image: see text] Time-dependent density functional theory has become state-of-the-art for describing photophysical and photochemical processes in extended materials because of its affordable cost. The inclusion of exact exchange was shown to be essential for the correct description of the long-rang...

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Detalles Bibliográficos
Autores principales: Hehn, Anna-Sophia, Sertcan, Beliz, Belleflamme, Fabian, Chulkov, Sergey K., Watkins, Matthew B., Hutter, Jürg
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2022
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281608/
https://www.ncbi.nlm.nih.gov/pubmed/35759470
http://dx.doi.org/10.1021/acs.jctc.2c00144

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9281608/
https://www.ncbi.nlm.nih.gov/pubmed/35759470
http://dx.doi.org/10.1021/acs.jctc.2c00144

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