{"id":40419,"date":"1999-01-01T00:00:00","date_gmt":"1999-01-01T00:00:00","guid":{"rendered":"https:\/\/www.deberes.net\/tesis\/sin-categoria\/topologia-de-la-densidad-electronica-en-cristales-una-teoria-cuantica-del-enlace-cristalino\/"},"modified":"1999-01-01T00:00:00","modified_gmt":"1999-01-01T00:00:00","slug":"topologia-de-la-densidad-electronica-en-cristales-una-teoria-cuantica-del-enlace-cristalino","status":"publish","type":"post","link":"https:\/\/www.deberes.net\/tesis\/fisica\/topologia-de-la-densidad-electronica-en-cristales-una-teoria-cuantica-del-enlace-cristalino\/","title":{"rendered":"Topolog\u00eda de la densidad electronica en cristales. una teoria cuantica del enlace cristalino."},"content":{"rendered":"<h2>Tesis doctoral de <strong>  Costales Castro M. Aurora <\/strong><\/h2>\n<p>La teor\u00eda de tomos en mol\u00e9culas (tam) de r. Bader constituye la \u00fanica teor\u00eda rigurosa del enlace qu\u00edmico que emana directamente y es totalmente compatible con los principios de la mec\u00e1nica cu\u00e1ntica. La presente memoria doctoral representa la ampliaci\u00f3n y aplicaci\u00f3n de la tam al tratamiento de s\u00f3lidos peri\u00f3dicos. En primer lugar, se presenta su fundamento riguroso en sistemas finitos, centr\u00e1ndonos especialmente en la existencia y definici\u00f3n de los \u00e1tomos como subsistemas cu\u00e1nticos, es decir, regiones del espacio molecular en las que rigen localmente todas las leyes mecanocu\u00e1nticas y est\u00e1n definidas todas las propiedades observables. En la generalizaci\u00f3n de la tam a sistemas infinitos aparecen diferencias significativas, tales como nuevas relaciones de invariancia topol\u00f3gica y una partici\u00f3n del espacio m\u00e1s fina que la partici\u00f3n en \u00e1tomos considerada hasta ahora. Por otra parte, hemos examinado la estructura topol\u00f3gica de la funci\u00f3n de onda en 164 s\u00f3lidos i\u00f3nicos agrupados en tres familias significativas: haluros alcalinos y alcalinot\u00e9rreos, y haluorperovskitas. Esto nos ha permitido establecer la existencia de diferentes tipos de topolog\u00eda en cristales isoestructurales, siendo intr\u00ednsecamente geom\u00e9tricas las razones que gobiernan este comportamiento. Tambi\u00e9n hemos podido examinar la correlaci\u00f3n entre propiedades topol\u00f3gicas (radios topol\u00f3gicos, cargas y vol\u00famenes de las cuencas, densidades y laplacianas de enlace, etc), energ\u00e9ticas (energ\u00edas de red y de formaci\u00f3n) y emp\u00edricas (electronegatividades). Finalmente, hemos examinado el efecto de las condiciones termodin\u00e1micas en la topolog\u00eda de la densidad electr\u00f3nica de los haluros alcalinos, analizando particularmente la transici\u00f3n de fase reconstructiva b1- b2.<\/p>\n<p>&nbsp;<\/p>\n<h3>Datos acad\u00e9micos de la tesis doctoral \u00ab<strong>Topolog\u00eda de la densidad electronica en cristales. una teoria cuantica del enlace cristalino.<\/strong>\u00ab<\/h3>\n<ul>\n<li><strong>T\u00edtulo de la tesis:<\/strong>\u00a0 Topolog\u00eda de la densidad electronica en cristales. una teoria cuantica del enlace cristalino. <\/li>\n<li><strong>Autor:<\/strong>\u00a0  Costales Castro M. Aurora <\/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>Victor Lua\u00f1a Cabal<\/li>\n<\/ul>\n<\/li>\n<li><strong>Tribunal<\/strong>\n<ul>\n<li>Presidente del tribunal: Miguel Moreno mas <\/li>\n<li>otilia Mo romero (vocal)<\/li>\n<li> Barriuso perez Mar\u00eda  teresa (vocal)<\/li>\n<li>angel Vegas molina (vocal)<\/li>\n<\/ul>\n<\/li>\n<\/ul>\n<p>&nbsp;<\/p>\n","protected":false},"excerpt":{"rendered":"<p>Tesis doctoral de Costales Castro M. Aurora La teor\u00eda de tomos en mol\u00e9culas (tam) de r. Bader constituye la \u00fanica [&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":[20483,199,1008,8846,560],"tags":[102036,103162,103161,1277,50013,50012],"class_list":["post-40419","post","type-post","status-publish","format-standard","hentry","category-estructura-cristalina","category-fisica","category-fisica-del-estado-solido","category-oviedo","category-quimica-fisica","tag-angel-vegas-molina","tag-barriuso-perez-maria-teresa","tag-costales-castro-m-aurora","tag-miguel-moreno-mas","tag-otilia-mo-romero","tag-victor-luana-cabal"],"_links":{"self":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/40419","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=40419"}],"version-history":[{"count":0,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/posts\/40419\/revisions"}],"wp:attachment":[{"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/media?parent=40419"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/categories?post=40419"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.deberes.net\/tesis\/wp-json\/wp\/v2\/tags?post=40419"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}