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...

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Main Authors:	Uribe-Suárez, Carlos Alberto, Hernández-Ramos, Ricardo
格式:	Online
语言:	spa
出版:	Universidad Pedagógica y Tecnológica de Colombia - UPTC 2014
主题:	DFT LAPW band structure dielectric function first principles dft lapw estructuta de bandas función dieléctrica primeros principios
在线阅读:	https://revistas.uptc.edu.co/index.php/ingenieria_sogamoso/article/view/3444