Electron Dynamics in Open Quantum Systems: The Driven Liouville-von Neumann Methodology within Time-Dependent Density Functional Theory

[Image: see text] A first-principles approach to describe electron dynamics in open quantum systems driven far from equilibrium via external time-dependent stimuli is introduced. Within this approach, the driven Liouville-von Neumann methodology is used to impose open boundary conditions on finite m...

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Detalles Bibliográficos
Autores principales: Oz, Annabelle, Nitzan, Abraham, Hod, Oded, Peralta, Juan E.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10653109/
https://www.ncbi.nlm.nih.gov/pubmed/37852250
http://dx.doi.org/10.1021/acs.jctc.3c00311

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10653109/
https://www.ncbi.nlm.nih.gov/pubmed/37852250
http://dx.doi.org/10.1021/acs.jctc.3c00311

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