Modeling Ultrafast Electron Dynamics in Strong Magnetic Fields Using Real-Time Time-Dependent Electronic Structure Methods

[Image: see text] An implementation of real-time time-dependent Hartree–Fock (RT-TDHF) and current density functional theory (RT-TDCDFT) for molecules in strong uniform magnetic fields is presented. In contrast to earlier implementations, the present work enables the use of the RT-TDCDFT formalism,...

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Detalles Bibliográficos
Autores principales: Wibowo, Meilani, Irons, Tom J. P., Teale, Andrew M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8047917/
https://www.ncbi.nlm.nih.gov/pubmed/33724806
http://dx.doi.org/10.1021/acs.jctc.0c01269

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8047917/
https://www.ncbi.nlm.nih.gov/pubmed/33724806
http://dx.doi.org/10.1021/acs.jctc.0c01269

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