{"id":49697,"date":"2021-04-30T20:55:12","date_gmt":"2021-04-30T20:55:12","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/analisis-de-hartree-fock-roothaan-de-la-energia-electronica-de-un-cluster-octaedrico-3-d-en-la-vibracion-a1g-estados-fundamental-estados-dn-y-estados-de-transferencia-de-carga-l-m\/"},"modified":"2021-04-30T20:55:12","modified_gmt":"2021-04-30T20:55:12","slug":"analisis-de-hartree-fock-roothaan-de-la-energia-electronica-de-un-cluster-octaedrico-3-d-en-la-vibracion-a1g-estados-fundamental-estados-dn-y-estados-de-transferencia-de-carga-l-m","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/analisis-de-hartree-fock-roothaan-de-la-energia-electronica-de-un-cluster-octaedrico-3-d-en-la-vibracion-a1g-estados-fundamental-estados-dn-y-estados-de-transferencia-de-carga-l-m\/","title":{"rendered":"Analisis de hartree-fock-roothaan de la energia electronica de un cluster octaedrico 3 d en la vibracion a1g: estados fundamental estados dn y estados de transferencia de carga l m."},"content":{"rendered":"<h2>Tesis doctoral de <strong> Margarita Bermejo Villanueva <\/strong><\/h2>\n<p>Las funciones de estado electronicas se han obtenido por solucion de las ecuaciones de hfr de capas abiertas apropiadas al caso octaedrico segun la metodolog\u00eda de richardson y colaboradores. A partir de estas se han investigado tres problemas especificos de la estructura electronica del crf6 (3-) y crf6 (4-). 1. Evolucion de la energia total de Valencia de los estados fundamental y generador de 10dq con la distancia metal-fluoruro. 2.  sensibilidad de los valores calculados de las transiciones electronicas d-d frente a cambios en la definicion de la capa de Valencia  la calidad de la base 3d y otros refinamientos metodologicos. 3. Posibilidad de pronosticar cuantitativamente algunas transiciones electronicas de transferencia de carga ligando-metal.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Analisis de hartree-fock-roothaan de la energia electronica de un cluster octaedrico 3 d en la vibracion a1g: estados fundamental estados dn y estados de transferencia de carga l m.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Analisis de hartree-fock-roothaan de la energia electronica de un cluster octaedrico 3 d en la vibracion a1g: estados fundamental estados dn y estados de transferencia de carga l m. <\/li>\n<li><strong>Autor:<\/strong>\u00a0 Margarita Bermejo Villanueva <\/li>\n<li><strong>Universidad:<\/strong>\u00a0 Oviedo<\/li>\n<li><strong>Fecha de lectura de la tesis:<\/strong>\u00a0 01\/01\/1982<\/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: Marcos Tejedor Gancedo <\/li>\n<li>Fermin Gomez Beltran (vocal)<\/li>\n<li>Justiniano Casas Pelaez (vocal)<\/li>\n<li>Manuel Quintanilla Monton (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Margarita Bermejo Villanueva Las funciones de estado electronicas se han obtenido por solucion de las ecuaciones de [&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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