Quantum characterization of materials using the density functional theory

Theoretical characterization of materials, from quantum mechanics, reveals entirely novel aspects. Its implementation requires prior knowledge of its crystalline structure, the atoms that compose it and their positions in it (First Principles). Solving the Schrodinger's equation is possible to...

ver descrição completa

Detalhes bibliográficos

Principais autores:	Uribe-Suárez, Carlos Alberto, Hernández-Ramos, Ricardo
Formato:	Online
Idioma:	spa
Publicado em:	Universidad Pedagógica y Tecnológica de Colombia - UPTC 2014
Assuntos:	DFT LAPW band structure dielectric function first principles dft lapw estructuta de bandas función dieléctrica primeros principios
Acesso em linha:	https://revistas.uptc.edu.co/index.php/ingenieria_sogamoso/article/view/3444