{"id":59385,"date":"2018-03-09T22:47:13","date_gmt":"2018-03-09T22:47:13","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/ab-initio-molecular-electronics-within-mean-field-methods\/"},"modified":"2018-03-09T22:47:13","modified_gmt":"2018-03-09T22:47:13","slug":"ab-initio-molecular-electronics-within-mean-field-methods","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/alicante\/ab-initio-molecular-electronics-within-mean-field-methods\/","title":{"rendered":"Ab-initio molecular electronics within mean-field methods"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Yamila Garcia Martinez <\/strong><\/h2>\n<p>La tesis desarrolla una metodolog\u00eda para el c\u00e1lculo de la conductancia de sistemas mesosc\u00f3picos a nivel ab-initio. el m\u00e9todo propuesto es contrastado con resultados derivados de otras metodolog\u00edas. Adem\u00e1s, se compara con situaciones reales, enti\u00e9ndase resultados experimentales existentes. el resultado fundamental de esta tesis es que propone la existencia de una metodolog\u00eda a nivel ab-initio y de campo medio, para computar el transporte cu\u00e1ntico. Esto es un tema de desarrollo actual por la comunidad trabajando en el tema. La novedad de la tesis, radica, en que se muestra (no hay un desarrollo formal riguroso para decir que es una demostraci\u00f3n), que la efectividad delos m\u00e9todos de c\u00e1lculo actuales a nivel ab-initio, se basan en el desarrollo de funcionales para describir el potencial de intercambio y correlaci\u00f3n, que cumplan con la propiedad anal\u00edtica de ser no locales en el espacio delas coordenadas espaciales. Esto implica la existencia de una posible demostraci\u00f3n de la relaci\u00f3n entre no localidad y confinamiento electr\u00f3nico, la situaci\u00f3n que esperamos exista en los sistemas moleculares con los que estamos tratando. Los sistemas reales con que han sido contrastados los resultados te\u00f3ricos son, electrodos de platino contaminados con hidr\u00f3geno  molecular y mon\u00f3xido de carbono, y electrodos de oro en disoluci\u00f3n de bdt.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Ab-initio molecular electronics within mean-field methods<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Ab-initio molecular electronics within mean-field methods <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Yamila Garcia Martinez <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Alicante<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 27\/06\/2007<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n<h3>Direcci\u00f3n y tribunal<\/h3>\n<ul>\n<li><strong>Director de la tesis<\/strong>\n<ul>\n<li>Enrique Louis Cereceda<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: francesc Illas riera <\/li>\n<li> P\u00e9rez jord\u00e1 Jos\u00e9 Mar\u00eda (vocal)<\/li>\n<li>Emilio San fabian maroto (vocal)<\/li>\n<li>daniel S\u00e1nchez-portal (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Yamila Garcia Martinez La tesis desarrolla una metodolog\u00eda para el c\u00e1lculo de la conductancia de sistemas mesosc\u00f3picos [&hellip;]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"","site-content-style":"default","site-sidebar-style":"default","ast-global-header-display":"","ast-banner-title-visibility":"","ast-main-header-display":"","ast-hfb-above-header-display":"","ast-hfb-below-header-display":"","ast-hfb-mobile-header-display":"","site-post-title":"","ast-breadcrumbs-content":"","ast-featured-img":"","footer-sml-layout":"","theme-transparent-header-meta":"","adv-header-id-meta":"","stick-header-meta":"","header-above-stick-meta":"","header-main-stick-meta":"","header-below-stick-meta":"","astra-migrate-meta-layouts":"default","ast-page-background-enabled":"default","ast-page-background-meta":{"desktop":{"background-color":"var(--ast-global-color-4)","background-image":"","background-repeat":"repeat","background-position":"center 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