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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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| Vydáno v: | J Chem Theory Comput |
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| Hlavní autoři: | , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
American Chemical Society
2019
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| On-line přístup: | 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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