Quantum characterization of materials using the density functional theory

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...

書誌詳細
主要な著者:	Uribe-Suárez, Carlos Alberto, Hernández-Ramos, Ricardo
フォーマット:	Online
言語:	spa
出版事項:	Universidad Pedagógica y Tecnológica de Colombia - UPTC 2014
主題:	DFT LAPW band structure dielectric function first principles dft lapw estructuta de bandas función dieléctrica primeros principios
オンライン･アクセス:	https://revistas.uptc.edu.co/index.php/ingenieria_sogamoso/article/view/3444

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