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...

Bibliografske podrobnosti
Main Authors:	Uribe-Suárez, Carlos Alberto, Hernández-Ramos, Ricardo
Format:	Online
Jezik:	spa
Izdano:	Universidad Pedagógica y Tecnológica de Colombia - UPTC 2014
Teme:	DFT LAPW band structure dielectric function first principles dft lapw estructuta de bandas función dieléctrica primeros principios
Online dostop:	https://revistas.uptc.edu.co/index.php/ingenieria_sogamoso/article/view/3444

Podobne knjige/članki

Cálculo de la estructura electrónica de la superred (GaN)4(RuN)4. (Calculation of the Electronic Structure of (GaN)4(RuN)4 Superlattice.)
od: Espitia R., M. J., et al.
Izdano: (2015)

Efectos de intercambio y correlación en las propiedades estructurales y electrónicas del TiO2 en la fase rutilo / Exchange and correlation effects on the structural and electronic properties of TiO2 on the rutile phase
od: Gonzalez Hernandez, Rafael, et al.
Izdano: (2017)

Propiedades estructurales y electrónicas del Ti calculadas mediante la DFT
od: Puerto, María, et al.
Izdano: (2013)

Estudio teórico de las reacciones Diels-Alder utilizando plantillas de antraceno a través del uso de orbitales de frontera. (A Diels-Alder Reaction Theoretical Study, by using Quiral Anthracene Groups, Through the Frontier Orbitals Usage.)
od: Vivas Reyes, R., et al.
Izdano: (2015)

Dielectric strength test to protection elements for live lines works
od: Pinto-Salamanca, Carlos Eduardo, et al.
Izdano: (2017)

Microwave Frequency Characterization of Barium Titanate Films Obtained Via Sol-Gel
od: Marulanda-Bernal, José Ignacio, et al.
Izdano: (2019)

Limits and application of the principle of opportunity in crimes against minors
od: Borbón, Diego
Izdano: (2022)

Propiedades electromagnéticas de un compuesto magneto dieléctrico a través de un algoritmo basado en el método Nicolson-Ross-Weir
od: Peña Rodríguez, Gabriel, et al.
Izdano: (2021)

Principles, moral and positivism: answers and redefinition of contemporary positivism
od: Fabra-Zamora, Jorge Luis
Izdano: (2014)

El concepto de pobreza y sus implicaciones en Colombia
od: Herrera, Julián Augusto Casas
Izdano: (2009)

Structural, elastic, electronic and thermal properties of InAs: A study of functional density
od: Mendoza-Estrada, Víctor, et al.
Izdano: (2017)

Special protection for workers in mattersof social security
od: Hernández-Montenegro, Mariah Angélica, et al.
Izdano: (2014)

Ayni Llajta: Community Work as the Foundation of the Democratization Process in Bolivia
od: Prieto Ruiz, Ómar Jerónimo
Izdano: (2017)

The Complexity of Latin-American Stock Market using a Behavioral Cellular Automaton Model
od: Talero Sarmiento, Leonardo Hernán, et al.
Izdano: (2017)

Consequentialism as a limit on constitutional, legal and juridical argumentation
od: Guagua-Castillo, Jairo, et al.
Izdano: (2014)

Analysis of the Performance of the mBJLDA Potential Considering Pressure Effects. (Análisis del rendimiento del potencial mBJLDA considerando efectos de presion.)
od: Camargo Martínez, J. A., et al.
Izdano: (2015)

Constitutional basis of the adversarial criminal justicesystem in a social State of law
od: Araque de Navas, Cándida Rosa
Izdano: (2013)

Balance in resolution of collision of fundamental rights. Special reference to the Spanish constitutional jurisprudence
od: Ruiz-Ruiz, Ramón
Izdano: (2013)

What Happens in the Language Classroom in regards to Communication? An analysis of the Cooperative Principle
od: Mora Menjura, Willian Alexander
Izdano: (2018)

Causes and early effects of Organic Law 1/2009 whichreforms the Principle of universal jurisdiction in Spain
od: Esteve-Moltó, José Elías
Izdano: (2013)

Examination of weighting for the protectionof the fundamental rights of children
od: Lizcano-Amézquita, Pedro Luis
Izdano: (2014)

The post-conflict law.From jus in bello to jus post bellum.The case of Colombia
od: Parra, Nestor Hernando
Izdano: (2015)

A propósito de la labor del compositor. El catálogo de partituras del archivo de la Banda Sinfónica de Vientos de Boyacá
od: Acuña Porras, David Alberto, et al.
Izdano: (2021)

ELEMENTARY EDUCATION AT THE DAWN OF THE INDEPENDENCE WITHIN AN IBEROAMERICAN CONTEXT
od: Torres Aguilar, Morelos
Izdano: (2011)

Empirical evidence of the theory of consumption for colombia 2000-2010
od: Herrera, Julián Augusto Casas, et al.
Izdano: (2011)

Strategic management across enterprise functions: an international competiveness pespective
od: Zapata, Luis Fernando Bustamante, et al.
Izdano: (2013)

Transnational corporations and human rights : the tortuous search for responsibility in an unfair and unsustainable globalization.
od: Esteve Moltó, José Elías
Izdano: (2021)

Concepts of Probability: a Study with Colombian University Students
od: Valdivieso Miranda, Margoth Adriana, et al.
Izdano: (2023)

Protection of indigenous peoples in situations of voluntary isolation
od: Schembri Carrasquilla, Ricardo, et al.
Izdano: (2021)

Communicative, scientific and pedagogical intentionality of the image: from the first illustrated book to interactive materials in the COVID-19 Post-pandemic
od: Quintero Corzo, Josefina, et al.
Izdano: (2023)

El principio de oportunidad en el sistema penal acusatorio, entre el eficientismo y la certeza de la pena
od: Castro C., John Jairo
Izdano: (2016)

Comparison of Kernel Functions in the Classification of Irradiance Zones from Multispectral Satellite Images
od: Pachajoa, Dalila-Mercedes, et al.
Izdano: (2021)

A formal model for the functional test of software to achieve maturity integrated level 2
od: Escobar-Sánchez, Milton Eduardo, et al.
Izdano: (2015)

Construction of a genetic decomposition: theoretical analysis of the concept of differential of a function in several variables
od: Suárez-Aguilar, Zagalo Enrique
Izdano: (2015)

Implementation of a system of treatment with plasma for gases using a dielectric barrier discharge cell
od: Mora Mendoza, Eduin Yesid, et al.
Izdano: (2014)

The production of capitalist urban space: contributions of functionalism, the School of Chicago, Henri Lefebvre and Manuel Castells
od: L'Huillier, Francisco José
Izdano: (2021)

Towards Digital Transformation: Serverless Function Deployment Strategies
od: Cabrera-Silva, Armando, et al.
Izdano: (2021)

Influence of the didactic contract in learning the concept of function
od: Riscanevo Espitia, Lida Esperanza, et al.
Izdano: (2011)

ROSARIO VERA PEÑALOZA AN EDUCATOR THAT SWAYED INTO ARGENTINEAN TEACHING HISTORY
od: Vera de Flachs, María Cristina
Izdano: (2013)

Prueba de rigidez dieléctrica a elementos de protección para trabajos con tensión TCT
od: Pinto Salamanca, Carlos Eduardo, et al.
Izdano: (2019)