{"id":118025,"date":"2015-11-09T00:00:00","date_gmt":"2015-11-09T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/spectroscopic-analysis-of-atoms-and-molecules\/"},"modified":"2015-11-09T00:00:00","modified_gmt":"2015-11-09T00:00:00","slug":"spectroscopic-analysis-of-atoms-and-molecules","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/estructura-molecular\/spectroscopic-analysis-of-atoms-and-molecules\/","title":{"rendered":"Spectroscopic analysis of atoms and molecules"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Alison-ainara Crawford Uranga <\/strong><\/h2>\n<p>En esta tesis he estudiado varios aspectos de la respuesta espectrosc\u00c2\u00bfpica de varios \u00c2\u00bftomos y mol\u00c2\u00bfculas a una fuente electromagn\u00c2\u00bftica externa. Entender dicha respuesta cu\u00c2\u00bfntica tanto nuclear como electr\u00c2\u00bfnica es muy complicado, excepto si se usan sistemas simples. Para simplificar este problema he usado la aproximaci\u00c2\u00bfn de born oppenheimer (boa) para la parte nuclear y la teor\u00c2\u00bfa del funcional de la densidad dependiente del tiempo (tddft) para la parte electr\u00c2\u00bfnica debido a su simplicidad y precisi\u00c2\u00bfn.En dicha tesis he trabajado en tres proyectos. En primer lugar, he estudiado el espectro de excitaci\u00c2\u00bfn lineal para mol\u00c2\u00bfculas simples donde se puede resolver el problema cu\u00c2\u00bfntico electr\u00c2\u00bfnico y nuclear. As\u00c2\u00bf he podido determinar la precisi\u00c2\u00bfn de la boa par estudiar dicho espectro. En segundo lugar, he estudiado la ionizaci\u00c2\u00bfn de \u00c2\u00bftomos de arg\u00c2\u00bfn y ne\u00c2\u00bfn compuestos de varios electrones a un campo externo fuerte. He comparado la ionizaci\u00c2\u00bfn total e individual de dichos electrones usando tddft con otro m\u00c2\u00bftodo te\u00c2\u00bfrico para analizar la precisi\u00c2\u00bfn de tddft. En tercer lugar, he estudiado la evoluci\u00c2\u00bfn de los orbitales moleculares de una mol\u00c2\u00bfcula de etileno expuesta a un sistema bomba-sonda para ionizarla. He observado como los cambios nucleares pueden afectar la evoluci\u00c2\u00bfn de los orbitales mediante un an\u00c2\u00bflisis del espectro de fotoemisi\u00c2\u00bfn (pes) y de la distribuci\u00c2\u00bfn fotoangular (pad).<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Spectroscopic analysis of atoms and molecules<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Spectroscopic analysis of atoms and molecules <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Alison-ainara Crawford Uranga <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Pa\u00eds vasco\/euskal herriko unibertsitatea<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 11\/09\/2015<\/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> Kurth<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: esa R\u00ed\u00a4s\u00ed\u00a4nen &#8212; <\/li>\n<li>ricardo Diez mui\u00f1o (vocal)<\/li>\n<li>paola Gori giorgi (vocal)<\/li>\n<li>Alberto Castro  barrig\u00f3n (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Alison-ainara Crawford Uranga En esta tesis he estudiado varios aspectos de la respuesta espectrosc\u00c2\u00bfpica de varios \u00c2\u00bftomos [&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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