{"id":40418,"date":"1999-01-01T00:00:00","date_gmt":"1999-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/teoria-de-la-separabilidad-electronica-y-estructuras-de-capas-abiertas-en-la-metodologia-ab-initio-del-ion-perturbado\/"},"modified":"1999-01-01T00:00:00","modified_gmt":"1999-01-01T00:00:00","slug":"teoria-de-la-separabilidad-electronica-y-estructuras-de-capas-abiertas-en-la-metodologia-ab-initio-del-ion-perturbado","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/teoria-de-la-separabilidad-electronica-y-estructuras-de-capas-abiertas-en-la-metodologia-ab-initio-del-ion-perturbado\/","title":{"rendered":"Teoria de la separabilidad electronica y estructuras de capas abiertas en la metodolog\u00eda ab initio del ion perturbado."},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Garcia Fernandez Victor Manuel <\/strong><\/h2>\n<p>La presente memoria doctoral est\u00e1 estructurada en tres cap\u00edtulos de similar amplitud. En el primero comenzamos detallando los fundamentos de la teor\u00eda de separabilidad electr\u00f3nica (tse) para sistemas multielectr\u00f3nicos cuyas partes sean subsistemas de capa cerrada. Se presentan con rigor las demostraciones de todas las ecuaciones. En una segunda parte describimos la adaptaci\u00f3n de la tse general para poder estudiar cristales i\u00f3nicos mediante el m\u00e9todo ab initio del i\u00f3n perturbado (ai pi), un modelo eficaz y contrastado en el caso de cristales que contienen iones de capa cerrada. En el segundo cap\u00edtulo presentamos el germen de una generalizaci\u00f3n de las ecuaciones del m\u00e9todo ai pi pera estudiar la interacci\u00f3n entre iones de capa abierta. Se proponen dos modelos, promediado y no promediado, que se contrastan discutiendo su funcionamiento en la mol\u00e9cula de hidr\u00f3geno. se estudia tambi\u00e9n el sistema dihelio, que permite comparar el distinto funcionamiento del proyecto de huzinaga frente al de hojer y chung. Por \u00faltimo, el tercer cap\u00edtulo discute una aplicaci\u00f3n sistem\u00e1tica del m\u00e9todo aipi y de la teor\u00eda de atomos en mol\u00e9culas de r. Bader adaptada a s\u00f3lidos, a una colecci\u00f3n de 300 haluroperovsquitas c\u00fabicas constituidas por alcalinos y alcalino-t\u00e9rreos o metales de transici\u00f3n 3d. Mostramos en este cap\u00edtulo la existencia de s\u00f3lo 7 esquemas topol\u00f3gicos de la densidad electr\u00f3nica, as\u00ed como unas reglas geom\u00e9tricas simples para asignar cada cristal a su esquema y, finalmente, diversas correlaciones entre propiedades en los puntos de enlace.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Teoria de la separabilidad electronica y estructuras de capas abiertas en la metodolog\u00eda ab initio del ion perturbado.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Teoria de la separabilidad electronica y estructuras de capas abiertas en la metodolog\u00eda ab initio del ion perturbado. <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Garcia Fernandez Victor Manuel <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Oviedo<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1999<\/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>Lorenzo Pueyo Casaus<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Miguel Moreno mas <\/li>\n<li>Jos\u00e9 Antonio Aramburu-zabala higuera (vocal)<\/li>\n<li> Olivares del valle Francisco Jos\u00e9 (vocal)<\/li>\n<li>Manuel Florez alonso (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Garcia Fernandez Victor Manuel La presente memoria doctoral est\u00e1 estructurada en tres cap\u00edtulos de similar amplitud. En [&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 center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"ast-content-background-meta":{"desktop":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"tablet":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""},"mobile":{"background-color":"var(--ast-global-color-5)","background-image":"","background-repeat":"repeat","background-position":"center center","background-size":"auto","background-attachment":"scroll","background-type":"","background-media":"","overlay-type":"","overlay-color":"","overlay-gradient":""}},"footnotes":""},"categories":[199,8846,560],"tags":[103158,94539,1275,103160,1277,103159],"class_list":["post-40418","post","type-post","status-publish","format-standard","hentry","category-fisica","category-oviedo","category-quimica-fisica","tag-garcia-fernandez-victor-manuel","tag-jose-antonio-aramburu-zabala-higuera","tag-lorenzo-pueyo-casaus","tag-manuel-florez-alonso","tag-miguel-moreno-mas","tag-olivares-del-valle-francisco-jose"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/40418","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/comments?post=40418"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/40418\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=40418"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=40418"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=40418"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}