{"id":6200,"date":"2026-10-19T09:48:37","date_gmt":"2026-10-19T09:48:37","guid":{"rendered":"https:\/\/phd.hi.is\/doktorsvorn\/doktorsvorn-i-efnafraedi-aleksei-v-ivanov\/"},"modified":"2026-10-19T09:48:37","modified_gmt":"2026-10-19T09:48:37","slug":"doktorsvorn-i-efnafraedi-aleksei-v-ivanov","status":"publish","type":"phd_defence","link":"https:\/\/phd.hi.is\/en\/doktorsvorn\/doktorsvorn-i-efnafraedi-aleksei-v-ivanov\/","title":{"rendered":"Doktorsv\u00f6rn \u00ed efnafr\u00e6\u00f0i &#8211; Aleksei V. Ivanov"},"content":{"rendered":"<div class=\"field-items\">\n<div class=\"field-item even\" property=\"content:encoded\">\n<p><a href=\"https:\/\/www.youtube.com\/user\/HIvarp\/live\">V\u00f6rninni ver\u00f0ur streymt<\/a><\/p>\n<p><strong>Doktorsefni:<\/strong>\u00a0Aleksei V. Ivanov<\/p>\n<p><strong>Heiti ritger\u00f0ar:<\/strong>\u00a0\u00datreikningar \u00e1 orkul\u00e1gum og \u00f6rvu\u00f0um rafeinda\u00e1st\u00f6ndum me\u00f0 orkufellum lei\u00f0r\u00e9ttum fyrir sj\u00e1lfsv\u00edxlverkun (Calculations of Ground and Excited Electronic States Using Self-Interaction Corrected Density Functionals)<\/p>\n<p><strong>Andm\u00e6lendur:<\/strong> Dr. Thomas Olsen, d\u00f3sent vi\u00f0 E\u00f0lisfr\u00e6\u00f0ideild T\u00e6knih\u00e1sk\u00f3la Danmerkur (DTU)<br \/> Dr. Andrei Manolescu, pr\u00f3fessor vi\u00f0 Verkfr\u00e6\u00f0ideild H\u00e1sk\u00f3lans \u00ed Reykjav\u00edk<\/p>\n<p><strong>Lei\u00f0beinandi:<\/strong>\u00a0Dr. Hannes J\u00f3nsson, pr\u00f3fessor vi\u00f0 Raunv\u00edsindadeild H\u00e1sk\u00f3la \u00cdslands<\/p>\n<p><strong>Einnig \u00ed doktorsnefnd:<br \/><\/strong>Dr. Egill Sk\u00falason, pr\u00f3fessor vi\u00f0 I\u00f0na\u00f0arverkfr\u00e6\u00f0i-, v\u00e9laverkfr\u00e6\u00f0i- og t\u00f6lvunarfr\u00e6\u00f0ideild H\u00e1sk\u00f3la \u00cdslands<br \/> Dr. Elvar \u00d6rn J\u00f3nsson, s\u00e9rfr\u00e6\u00f0ingur \u00e1 Raunv\u00edsindastofnun H\u00e1sk\u00f3lans<\/p>\n<p><strong>Doktorsv\u00f6rn st\u00fdrir:<\/strong>\u00a0Dr. Einar \u00d6rn Sveinbj\u00f6rnsson, pr\u00f3fessor og deildarforseti Raunv\u00edsindadeildar H\u00e1sk\u00f3la \u00cdslands<\/p>\n<p><strong>\u00c1grip<\/strong><\/p>\n<p>A\u00f0fer\u00f0ir til a\u00f0 reikna \u00fat orkul\u00e1g og \u00f6rvu\u00f0 rafeinda\u00e1st\u00f6nd me\u00f0 beinni bestun hafa veri\u00f0 \u00fer\u00f3a\u00f0ar, b\u00e6\u00f0i fyrir felli h\u00e1\u00f0 heildarrafeinda\u00fe\u00e9ttni, sem og almennari felli h\u00e1\u00f0 \u00fe\u00e9ttni svigr\u00famanna. A\u00f0fer\u00f0irnar hafa veri\u00f0 \u00fer\u00f3a\u00f0ar fyrir \u00fdmsar ger\u00f0ir grunna svo sem sta\u00f0bundin at\u00f3msvigr\u00fam, planbylgjur og grind \u00ed raunr\u00faminu. \u00de\u00e6r hafa veri\u00f0 innleiddar me\u00f0 &#8216;projector-augmented-wave&#8217; a\u00f0fer\u00f0inni til a\u00f0 l\u00fdsa \u00e1hrifum innri rafeinda at\u00f3manna. Beina bestunin reynist vera \u00e1rei\u00f0anlegri og hra\u00f0virkari en \u00fe\u00e6r a\u00f0fer\u00f0ir sem \u00e1\u00f0ur hafa veri\u00f0 nota\u00f0ar b\u00e6\u00f0i hva\u00f0 var\u00f0ar reikninga \u00e1 grunn\u00e1st\u00f6ndum, sem og \u00f6rvu\u00f0um \u00e1st\u00f6ndum. \u00c1hrif sj\u00e1lfsv\u00edxlverkunarlei\u00f0r\u00e9ttingar Perdews og Zungers (PZ-SIC) \u00e1 \u00fatkomu reikninganna hafa einnig veri\u00f0 k\u00f6nnu\u00f0 og ni\u00f0urst\u00f6\u00f0urnar bornar saman vi\u00f0 almennu stiguln\u00e1lgunina (GGA). PZ-SIC lei\u00f0r\u00e9ttingin reynist b\u00e6ta kerfisbundi\u00f0 \u00fatreikna\u00f0a sundrunarorku sameinda sem og j\u00f3nunarorku og einnig orkugeil einangrara, en \u00fearf a\u00f0 skalast ni\u00f0ur \u00ed helming. Reikningar \u00e1 eiginleikum kerfa me\u00f0 hli\u00f0arm\u00e1lmat\u00f3m geta batna\u00f0 s\u00e9rlega miki\u00f0 me\u00f0 PZ-SIC lei\u00f0r\u00e9ttingunni og \u00fear er Mn tvennan s\u00e9rlega afgerandi tilfelli \u00fear sem reikningar me\u00f0 PZ-SIC gefa mj\u00f6g g\u00f3\u00f0a ni\u00f0urst\u00f6\u00f0u \u00e1 sama t\u00edma og GGA gefur verulega rangar ni\u00f0urst\u00f6\u00f0ur. Hins vegar hefur PZ-SIC ekki mikil \u00e1hrif \u00e1 \u00fatreikna\u00f0a \u00f6rvunarorku l\u00edtilla l\u00edfr\u00e6nna sameinda \u00fear e\u00f0 lei\u00f0r\u00e9ttingin \u00e1 grunn- og \u00f6rva\u00f0a \u00e1standinu styttist \u00fear a\u00f0 miklu leyti \u00fat. S\u00fa skilvirka innsetning \u00e1 PZ-SIC sem er fram sett h\u00e9r opnar lei\u00f0ina fyrir \u00fer\u00f3un \u00e1 n\u00e1kv\u00e6mari fellum h\u00e1\u00f0um svigr\u00fama\u00fe\u00e9ttni.<\/p>\n<p><strong>Um doktorsefni\u00f0<\/strong><\/p>\n<p>Aleksei Ivanov f\u00e6ddist \u00ed Belarus \u00e1ri\u00f0 1992 og \u00f3lst upp \u00e1 Kamchatka-skaganum, austast \u00ed R\u00fasslandi. Fyrir h\u00e1sk\u00f3lan\u00e1mi\u00f0 fluttist hann \u00fevert yfir landi\u00f0 og nam kennilega e\u00f0lisfr\u00e6\u00f0i vi\u00f0 R\u00edkish\u00e1sk\u00f3lann \u00ed St. Petersburg. Hann lauk \u00fea\u00f0an BS-pr\u00f3fi og s\u00ed\u00f0ar MS-gr\u00e1\u00f0u en ranns\u00f3knaverkefni\u00f0 var unni\u00f0 \u00ed n\u00e1inni samvinnu vi\u00f0 Hannes J\u00f3nsson, pr\u00f3fessor vi\u00f0 Raunv\u00edsindadeild. S\u00fa samvinna leiddi til doktorsn\u00e1ms vi\u00f0 H\u00e1sk\u00f3la \u00cdslands \u00fear sem ranns\u00f3knaverkefni\u00f0 hefur veri\u00f0 \u00fer\u00f3un a\u00f0fer\u00f0a til a\u00f0 reikna \u00fat grunn- og \u00f6rvu\u00f0 rafeinda\u00e1st\u00f6nd me\u00f0 orkufellum \u00fear sem ger\u00f0 hefur veri\u00f0 lei\u00f0r\u00e9tting fyrir sj\u00e1lfsv\u00edxlverkun.<\/p>\n<p><strong><br \/> <\/strong><\/p>\n<p><strong>\u00a0<\/strong><\/p>\n<\/div><\/div>","protected":false},"featured_media":4964,"template":"","meta":{"site-sidebar-layout":"default","site-content-layout":"","ast-site-content-layout":"default","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":"","ast-disable-related-posts":"","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":"","background-image":"","background-repeat":"repeat","background-position":"center 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