Computational procedure to an accurate DFT simulation to solid state systems
The density functional theory has become increasingly common as a methodology to explain the properties of crystalline materials because of the improvement in computational infrastructure and software development to perform such computational simulations. Although several studies have shown that t...
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| Principais autores: | , , , , , , , |
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| Formato: | article |
| Idioma: | English |
| Publicado em: |
Elsevier
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| Assuntos: | |
| Endereço do item: | https://repositorio.ufrn.br/handle/123456789/43759 |
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