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...

Deskribapen osoa

Xehetasun bibliografikoak
Egile Nagusiak:	Uribe-Suárez, Carlos Alberto, Hernández-Ramos, Ricardo
Formatua:	Online
Hizkuntza:	spa
Argitaratua:	Universidad Pedagógica y Tecnológica de Colombia - UPTC 2014
Gaiak:	DFT LAPW band structure dielectric function first principles dft lapw estructuta de bandas función dieléctrica primeros principios
Sarrera elektronikoa:	https://revistas.uptc.edu.co/index.php/ingenieria_sogamoso/article/view/3444

Antzeko izenburuak

Cálculo de la estructura electrónica de la superred (GaN)4(RuN)4. (Calculation of the Electronic Structure of (GaN)4(RuN)4 Superlattice.)
nork: Espitia R., M. J., et al.
Argitaratua: (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
nork: Gonzalez Hernandez, Rafael, et al.
Argitaratua: (2017)

Propiedades estructurales y electrónicas del Ti calculadas mediante la DFT
nork: Puerto, María, et al.
Argitaratua: (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.)
nork: Vivas Reyes, R., et al.
Argitaratua: (2015)

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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