Gomes, Eduardo O.Fabris, Guilherme da Silva LopesFerrer, Mateus M.Motta, Fabiana Villela daDelmonte, Maurício Roberto BomioAndres, JuanSilva, Elson Longo daSambrano, Júlio Ricardo2021-10-082019-12GOMES, Eduardo O.; FABRIS, Guilherme S.L.; FERRER, Mateus M.; MOTTA, Fabiana V.; BOMIO, Mauricio R.D.; ANDRES, Juan; LONGO, Elson; SAMBRANO, Julio R.. Computational procedure to an accurate DFT simulation to solid state systems. Computational Materials Science, [S.L.], v. 170, p. 109176, dez. 2019. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0927025619304756?via%3Dihub. Acesso em: 22 abr. 2021. http://dx.doi.org/10.1016/j.commatsci.2019.109176.0927-0256https://repositorio.ufrn.br/handle/123456789/43759Quantum computation methodologyDFTBasis set optimizationBaMoO4Computational procedure to an accurate DFT simulation to solid state systemsarticle10.1016/j.commatsci.2019.109176