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Nonadiabatic Electron Dynamics in Tunneling Junctions: Lattice Exchange-Correlation Potential

[Image: see text] The search for exchange-correlation functionals going beyond the adiabatic approximation has always been a challenging task for time-dependent density-functional theory. Starting from known results and using symmetry properties, we put forward a nonadiabatic exchange-correlation fu...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Covito, Fabio, Rubio, Angel, Eich, Florian G.
Formato: Artigo
Idioma:Inglês
Publicado em: American Chemical Society 2019
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6964416/
https://ncbi.nlm.nih.gov/pubmed/31738542
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.9b00893
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