{"id":143566,"date":"1993-01-01T00:00:00","date_gmt":"1993-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/simulacion-de-cristales-debilmente-correlacionados-con-metodos-cuanticos-locales-el-modelo-del-ion-perturbado-ab-initio\/"},"modified":"1993-01-01T00:00:00","modified_gmt":"1993-01-01T00:00:00","slug":"simulacion-de-cristales-debilmente-correlacionados-con-metodos-cuanticos-locales-el-modelo-del-ion-perturbado-ab-initio","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/simulacion-de-cristales-debilmente-correlacionados-con-metodos-cuanticos-locales-el-modelo-del-ion-perturbado-ab-initio\/","title":{"rendered":"Simulacion de cristales debilmente correlacionados con metodos cuanticos locales: el modelo del ion perturbado ab initio"},"content":{"rendered":"<h2>Tesis doctoral de <strong> Angel Martin Pendas <\/strong><\/h2>\n<p>Se utiliza el marco de la teoria de separabilidad electronica para investigar la posibilidad de formular modelos cuanticos localizados en el entorno cristalino, particularizando para el modelo del ion perturbado. Ab initio se demuestra que dicho modelo de localizacion forzada se enmarca adecuadamente usando la teoria hartree-fock para obbitales ortogonales, resultando un caso particular de las ecuaciones de adams-gilbert y justificandose por primera vez el uso y significado fisico de la llamada energia de proyeccion el modelo se examina para cristales debilmente enlazados y debilmente correlacionados. Como los cristales de gases nobles y se analizan y evaluan algunas de sus aproximaciones. Por ultimo se muestran ciertas aplicaciones al dise\u00f1o no empirico de potenciales interatomicos y resolucion de estructuras cristalinas por difraccion de rayos x.  tambien se presenta una posible generalizacion del formalismo del ion perturbado a casos con coexistencia de capas abiertas diluidas.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Simulacion de cristales debilmente correlacionados con metodos cuanticos locales: el modelo del ion perturbado ab initio<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Simulacion de cristales debilmente correlacionados con metodos cuanticos locales: el modelo del ion perturbado ab initio <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Angel Martin Pendas <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Oviedo<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1993<\/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:  Olivares Del Valle Francisco J. <\/li>\n<li>Santos Gonzalez Jimenez (vocal)<\/li>\n<li>Fernando Palacio Parada (vocal)<\/li>\n<li>Otilia Mo Romero (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Angel Martin Pendas Se utiliza el marco de la teoria de separabilidad electronica para investigar la posibilidad [&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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