Hybrid exchange–correlation functionals for van der Waals TiSe2 material: Parametrization versus a posteriori D3 dispersion corrections
| Autor: | de Lazaro, Sergio Ricardo, Rosa, Guilherme Bonifácio, Ribeiro, Renan Augusto Pontes, Lacerda, Luis Henrique da Silveira, Oliveira, Marisa Carvalho de, Longo, Elson |
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| Zdroj: | In Computational Materials Science November 2022 214 |
| Databáze: | ScienceDirect |
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