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Dinámica cuántica de sistemas supramoleculares derivados de triarilamina en el régimen no-markoviano

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dc.audience
dc.contributor.advisorSusa Quintero, Cristian E.spa
dc.contributor.authorVertel Nieto, Alonso de Jesús
dc.date.accessioned2023-08-14T23:30:19Z
dc.date.available2023-08-14T23:30:19Z
dc.date.issued2023-07-13
dc.description.abstractEl objetivo principal de este trabajo es estudiar, bajo los fundamentos de la Mecánica Cuántica, la dinámica de sistemas supramoleculares compuestos por moléculas de Triarilamina, las cuales interactúan fuertemente con un entorno polar (Anisol). La interacción fuerte entre las moléculas está regida por la interacción dipolar, que depende de la distancia de separación entre ellas y la orientación que tengan dentro de la estructura. Para resolver la dinámica abierta se utiliza la técnica de Ecuaciones Jerárquicas de Movimiento (HEOM), donde se considera un sistema cuántico de cuatro niveles de energía que interactúa con un entorno bosónico. La dinámica disipativa del sistema es estudiada desde el régimen Markoviano, donde la aproximación de Born-Markov es válida, al no-Markoviano donde la interacción sistema-entorno es fuerte y los efectos de memoria tienen un papel fundamental en la evolución del sistema. Inicialmente se estudia la dinámica sin tener en cuenta la aplicación de un láser externo sobre el sistema para diferentes estados iniciales, luego se muestran los efectos que tiene el láser en el comportamiento del sistema, así como también se realiza un análisis detallado de la dinámica del sistema a bajas y altas temperaturas. Se muestra que el sistema se ve favorecido cuando se asume que las moléculas se encuentran inicialmente en un estado entrelazado, esto debido a que los fenómenos cuánticos, como la coherencia, permanecen durante más tiempo. spa
dc.description.degreelevelPregradospa
dc.description.degreenameFísico(a)spa
dc.description.modalityTrabajos de Investigación y/o Extensiónspa
dc.description.tableofcontentsÍndice de figuras . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 3spa
dc.description.tableofcontentsResumen . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4spa
dc.description.tableofcontents1. Introducción 6spa
dc.description.tableofcontents2. Dinámica de Sistemas Cuánticos Abiertos 8spa
dc.description.tableofcontents2.1. Dinámica Cuántica Markoviana . . . . . . . . . . . . . . . . . . . . 8spa
dc.description.tableofcontents2.1.1. Derivación de la ecuación de Lindblad . . . . . . . . . . . . 10spa
dc.description.tableofcontents2.2. Dinámica cuántica no-Markoviana . . . . . . . . . . . . . . . . . . . 14spa
dc.description.tableofcontents2.2.1. Ecuaciones Jerárquicas de Movimiento (HEOM) . . . . . . . 15spa
dc.description.tableofcontents2.2.2. Derivación de la Densidad Espectral de Drude-Lorentz . . . 16spa
dc.description.tableofcontents2.2.3. Funciones de Correlación . . . . . . . . . . . . . . . . . . . . 17spa
dc.description.tableofcontents2.2.4. Modelo de Spin-Boson . . . . . . . . . . . . . . . . . . . . . 19spa
dc.description.tableofcontents3. Sistema Supramolecular 23spa
dc.description.tableofcontents3.1. Triarilamina con Puente de Carbonilo . . . . . . . . . . . . . . . . . 23spa
dc.description.tableofcontents3.1.1. Estructura Supramolecular . . . . . . . . . . . . . . . . . . . 26spa
dc.description.tableofcontents3.1.2. Propiedades Ópticas y Electrónicas del Sistema Supramolecular . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 28spa
dc.description.tableofcontents4. Correlaciones Cuánticas 31spa
dc.description.tableofcontents4.1. Entropía de Shannon . . . . . . . . . . . . . . . . . . . . . . . . . . 31spa
dc.description.tableofcontents4.2. Entropía Condicional . . . . . . . . . . . . . . . . . . . . . . . . . . 32spa
dc.description.tableofcontents4.3. Entropía de Von Neumann . . . . . . . . . . . . . . . . . . . . . . . 33spa
dc.description.tableofcontents4.4. Información Mutua . . . . . . . . . . . . . . . . . . . . . . . . . . . 33spa
dc.description.tableofcontents4.5. Discordia Cuántica . . . . . . . . . . . . . . . . . . . . . . . . . . . 35spa
dc.description.tableofcontents4.6. Concurrencia y Entrelazamiento de Formación . . . . . . . . . . . . 35spa
dc.description.tableofcontents5. Resultados 37spa
dc.description.tableofcontents5.1. Dinámica Cuántica del Sistema Supramolecular . . . . . . . . . . . 37spa
dc.description.tableofcontents5.1.1. Dinámica de Poblaciones y Coherencias . . . . . . . . . . . . 39spa
dc.description.tableofcontents5.1.2. Dinámica de Correlaciones Cuánticas . . . . . . . . . . . . . 43spa
dc.description.tableofcontents5.1.3. Dinámica Abierta Bajo Excitación del Láser Coherente . . . 45spa
dc.description.tableofcontents6. Conclusiones 51spa
dc.description.tableofcontents6.1. Participación en Eventos Científicos . . . . . . . . . . . . . . . . . . 52spa
dc.description.tableofcontentsA. Decaimiento Espontáneo de un Sistema de Dos Niveles 53spa
dc.description.tableofcontentsB. Derivación de la Expansión de las Funciones de Correlación 57spa
dc.description.tableofcontentsC. Derivación del Hamiltoniano Efectivo 60spa
dc.description.tableofcontentsReferencias Bibliográficas 63spa
dc.format.mimetypeapplication/pdfspa
dc.identifier.urihttps://repositorio.unicordoba.edu.co/handle/ucordoba/7643
dc.language.isospaspa
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.publisher.placeMontería, Córdoba, Colombiaspa
dc.publisher.programFísicaspa
dc.rightsCopyright Universidad de Córdoba, 2023spa
dc.rights.accessrightsinfo:eu-repo/semantics/openAccessspa
dc.rights.creativecommonsAtribución-NoComercial-SinDerivadas 4.0 Internacional (CC BY-NC-ND 4.0)spa
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0/spa
dc.subject.keywordsSupramolecular systemseng
dc.subject.keywordsOpen Quantum Systemseng
dc.subject.keywordsHierarchical Equations of Motioneng
dc.subject.keywordsQuantum Correlationseng
dc.subject.keywordsDipolar interactioneng
dc.subject.proposalSistemas supramolecularesspa
dc.subject.proposalSistemas cuánticos abiertos
dc.subject.proposalEcuaciones Jerárquicas de Movimiento
dc.subject.proposalCorrelaciones cuánticas
dc.subject.proposalInteracción dipolar
dc.titleDinámica cuántica de sistemas supramoleculares derivados de triarilamina en el régimen no-markovianospa
dc.typeTrabajo de grado - Pregradospa
dc.type.coarhttp://purl.org/coar/resource_type/c_7a1fspa
dc.type.contentTextspa
dc.type.driverinfo:eu-repo/semantics/bachelorThesisspa
dc.type.versioninfo:eu-repo/semantics/submittedVersionspa
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