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Charge transfer excitation energies from ground state density functional theory calculations
Calculating charge transfer (CT) excitation energies with high accuracy and low computational cost is a challenging task. Kohn-Sham density functional theory (KS-DFT), due to its efficiency and accuracy, has achieved great success in describing ground state problems. To extend to excited state probl...
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| Publicado no: | J Chem Phys |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
AIP Publishing LLC
2019
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7479986/ https://ncbi.nlm.nih.gov/pubmed/30981264 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1063/1.5087883 |
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