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1Academic Journal
المؤلفون: Gomes, Eduardo O., da Silva Lopes Fabris, Guilherme, Ferrer, Mateus M., Motta, Fabiana Villela, Bomio, Mauricio, Andres, Juan, Longo, Elson, Sambrano, Julio
مصطلحات موضوعية: quantum computation methodology, DFT, basis set optimization, BaMoO4
وصف الملف: application/pdf
Relation: Computational Materials Science, 2019, vol. 170; National Council for Scientific and Technological Development (CNPq): 432242/2018-0; CAPES: 787027/2013 8881.068492/2014-01; Fundacao de Amparo a Pesquisa do Estado de Sao Paulo (FAPESP): 2013/07296-2 2016/07476-9; Generalitat Valencia: 2018/; https://www.sciencedirect.com/science/article/pii/S0927025619304756; GOMES, Eduardo O., et al. Computational procedure to an accurate DFT simulation to solid state systems. Computational Materials Science, 2019, vol. 170, p. 109176; http://hdl.handle.net/10234/185446; https://doi.org/10.1016/j.commatsci.2019.109176
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المؤلفون: Eduardo O. Gomes, Juan Andrés, Julio R. Sambrano, Fabiana V. Motta, Mauricio R. D. Bomio, Elson Longo, Guilherme S.L. Fabris, Mateus M. Ferrer
المساهمون: Univ Fed Rio Grande do Norte, Universidade Estadual Paulista (Unesp), Univ Fed Pelotas, UJI, Universidade Federal de São Carlos (UFSCar)
المصدر: Web of Science
Repositório Institucional da UNESP
Universidade Estadual Paulista (UNESP)
instacron:UNESP
Repositori Universitat Jaume I
Universitat Jaume I
Repositório Institucional da UFRN
Universidade Federal do Rio Grande do Norte (UFRN)
instacron:UFRNمصطلحات موضوعية: General Computer Science, Computer science, Quantum computation methodology, General Physics and Astronomy, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, DFT, law.invention, Set (abstract data type), law, General Materials Science, Representation (mathematics), BaMoO4, Basis set, Flowchart, Computational model, business.industry, Software development, General Chemistry, 021001 nanoscience & nanotechnology, 0104 chemical sciences, Hybrid functional, Computational Mathematics, Mechanics of Materials, Density functional theory, Basis set optimization, 0210 nano-technology, business, Algorithm
وصف الملف: application/pdf