{"id":76604,"date":"2005-07-10T00:00:00","date_gmt":"2005-07-10T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/intercambio-de-carga-disociacion-y-excitacion-vibracional-en-colisiones-ion-molecula-estudio-teorico-de-colisiones-ion-h2\/"},"modified":"2005-07-10T00:00:00","modified_gmt":"2005-07-10T00:00:00","slug":"intercambio-de-carga-disociacion-y-excitacion-vibracional-en-colisiones-ion-molecula-estudio-teorico-de-colisiones-ion-h2","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/intercambio-de-carga-disociacion-y-excitacion-vibracional-en-colisiones-ion-molecula-estudio-teorico-de-colisiones-ion-h2\/","title":{"rendered":"Intercambio de carga, disociacion y excitacion vibracional en colisiones ion molecula. estudio teorico de colisiones ion h2"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Luis Fernandez Menchero <\/strong><\/h2>\n<p>En la presente tesis doctoral se da un estudio te\u00f3rico detallado de los efectos vibr\u00f3nicos en colisiones i\u00f3n-mol\u00e9cula, aplic\u00e1ndolo a dos sistemas particulares en estudio: h+ + h2, y n5+ + h2.Del sistema h+ + h2 se hace un desarrollo close-coupling vibr\u00f3nico, introduciendo una base vibracional completa, con estados tanto ligados como del continuo de disociaci\u00f3n. Este sistema se estudia din\u00e1micamente en r\u00e9gimen cu\u00e1ntico, aplicando la aproximaci\u00f3n rotacional iosa, y en semicl\u00e1sico, mediante el m\u00e9todo iconal.La riqueza del tratamiento hace que se pueda cubrir un muy amplio rango de energ\u00edas de impacto, entre 20 ev\/amu y 10 kev\/amu.La mayor dificultad del sistema h+ + h2 es la presencia de una intersecci\u00f3n c\u00f3nica entre las dos primeras superficies de energ\u00eda potencial. Para su tratamiento se ha desarrollado un m\u00e9todo de regularizaci\u00f3n.En el caso de la colisi\u00f3n n5+ + h2 se introducen una gran cantidad de estados electr\u00f3nicos en la base, ya que tanto los procesos de captura sencilla (sec) como de doble captura autoionizante (adc) son relevantes, lo que hace inviable un tratamiento vibr\u00f3nico completo, luego este sistema es tratado en t\u00e9rminos de la aproximaci\u00f3n s\u00fabita vibracional en el rango de energ\u00edas de impacto en que \u00e9sta es aplicable, entre 0.1 y 10 kev\/amu.Este sistema tiene por dificultades adicionales el presentar los estados de inter\u00e9s en la colisi\u00f3n por encima del l\u00edmite de ionizaci\u00f3n, con lo que es preciso una t\u00e9cnica de bloque-diagonalizaci\u00f3n para poder ser obtenidas sus funciones de onda mediante un c\u00e1lculo variacional. Adem\u00e1s las superficies de energ\u00eda potencial presentan sucesiones de cruces evitados estrechos, en los cuales se ha implementado una t\u00e9cnica de seguimiento de signos y diabatizaci\u00f3n.Por \u00faltimo se muestran los resultados de las secciones eficaces calculadas para cada reacci\u00f3n comparadas con los datos experimentales y c\u00e1lculos previos presentes en la bibliograf\u00eda. Gracias al tratam<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Intercambio de carga, disociacion y excitacion vibracional en colisiones ion molecula. estudio teorico de colisiones ion h2<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Intercambio de carga, disociacion y excitacion vibracional en colisiones ion molecula. estudio teorico de colisiones ion h2 <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Luis Fernandez Menchero <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Aut\u00f3noma de Madrid<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 07\/10\/2005<\/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>Luis Mendez Ambrosio<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: armando Riera compte <\/li>\n<li>xavier Gadea (vocal)<\/li>\n<li> Gomez gomez Jos\u00e9 Mar\u00eda (vocal)<\/li>\n<li>margarita Albert\u00ed wirsing (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Luis Fernandez Menchero En la presente tesis doctoral se da un estudio te\u00f3rico detallado de los efectos [&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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