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class="mw-page-container"> <div class="mw-page-container-inner"> <div class="vector-sitenotice-container"> <div id="siteNotice"></div> </div> <div class="vector-column-start"> <div class="vector-main-menu-container"> <div id="mw-navigation"> <nav id="mw-panel" class="vector-main-menu-landmark" aria-label="Projekt"> <div id="vector-main-menu-pinned-container" class="vector-pinned-container"> </div> </nav> </div> </div> <div class="vector-sticky-pinned-container"> <nav id="mw-panel-toc" aria-label="Obsah" data-event-name="ui.sidebar-toc" class="mw-table-of-contents-container vector-toc-landmark"> <div id="vector-toc-pinned-container" class="vector-pinned-container"> <div id="vector-toc" class="vector-toc vector-pinnable-element"> <div class="vector-pinnable-header vector-toc-pinnable-header vector-pinnable-header-pinned" data-feature-name="toc-pinned" data-pinnable-element-id="vector-toc" > <h2 class="vector-pinnable-header-label">Obsah</h2> <button class="vector-pinnable-header-toggle-button vector-pinnable-header-pin-button" data-event-name="pinnable-header.vector-toc.pin">přesunout do postranního panelu</button> <button class="vector-pinnable-header-toggle-button vector-pinnable-header-unpin-button" data-event-name="pinnable-header.vector-toc.unpin">skrýt</button> </div> <ul class="vector-toc-contents" id="mw-panel-toc-list"> <li id="toc-mw-content-text" class="vector-toc-list-item vector-toc-level-1"> <a href="#" class="vector-toc-link"> <div class="vector-toc-text">(úvod)</div> </a> </li> <li id="toc-Historie_kvantové_chemie" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Historie_kvantové_chemie"> <div class="vector-toc-text"> <span class="vector-toc-numb">1</span> <span>Historie kvantové chemie</span> </div> </a> <ul id="toc-Historie_kvantové_chemie-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Externí_odkazy" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Externí_odkazy"> <div class="vector-toc-text"> <span class="vector-toc-numb">2</span> <span>Externí odkazy</span> </div> </a> <ul id="toc-Externí_odkazy-sublist" class="vector-toc-list"> </ul> </li> <li id="toc-Reference" class="vector-toc-list-item vector-toc-level-1 vector-toc-list-item-expanded"> <a class="vector-toc-link" href="#Reference"> <div class="vector-toc-text"> <span class="vector-toc-numb">3</span> <span>Reference</span> </div> </a> <ul id="toc-Reference-sublist" class="vector-toc-list"> </ul> </li> </ul> </div> </div> </nav> </div> </div> <div class="mw-content-container"> <main id="content" class="mw-body"> <header class="mw-body-header vector-page-titlebar"> <nav aria-label="Obsah" class="vector-toc-landmark"> <div id="vector-page-titlebar-toc" class="vector-dropdown vector-page-titlebar-toc vector-button-flush-left" > <input type="checkbox" id="vector-page-titlebar-toc-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-vector-page-titlebar-toc" class="vector-dropdown-checkbox " aria-label="Přepnout obsah" > <label id="vector-page-titlebar-toc-label" for="vector-page-titlebar-toc-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet cdx-button--icon-only " aria-hidden="true" ><span class="vector-icon mw-ui-icon-listBullet mw-ui-icon-wikimedia-listBullet"></span> <span class="vector-dropdown-label-text">Přepnout obsah</span> </label> <div class="vector-dropdown-content"> <div id="vector-page-titlebar-toc-unpinned-container" class="vector-unpinned-container"> </div> </div> </div> </nav> <h1 id="firstHeading" class="firstHeading mw-first-heading"><span class="mw-page-title-main">Kvantová chemie</span></h1> <div id="p-lang-btn" class="vector-dropdown mw-portlet mw-portlet-lang" > <input type="checkbox" id="p-lang-btn-checkbox" role="button" aria-haspopup="true" data-event-name="ui.dropdown-p-lang-btn" class="vector-dropdown-checkbox mw-interlanguage-selector" aria-label="Přejděte k článku v jiném jazyce. Je dostupný v 62 jazycích" > <label id="p-lang-btn-label" for="p-lang-btn-checkbox" class="vector-dropdown-label cdx-button cdx-button--fake-button cdx-button--fake-button--enabled cdx-button--weight-quiet cdx-button--action-progressive mw-portlet-lang-heading-62" aria-hidden="true" ><span class="vector-icon mw-ui-icon-language-progressive mw-ui-icon-wikimedia-language-progressive"></span> <span class="vector-dropdown-label-text">62 jazyků</span> </label> <div class="vector-dropdown-content"> <div class="vector-menu-content"> <ul class="vector-menu-content-list"> <li class="interlanguage-link interwiki-ar mw-list-item"><a href="https://ar.wikipedia.org/wiki/%D9%83%D9%8A%D9%85%D9%8A%D8%A7%D8%A1_%D8%A7%D9%84%D9%83%D9%85" title="كيمياء الكم – arabština" lang="ar" hreflang="ar" data-title="كيمياء الكم" data-language-autonym="العربية" data-language-local-name="arabština" class="interlanguage-link-target"><span>العربية</span></a></li><li class="interlanguage-link interwiki-ast mw-list-item"><a href="https://ast.wikipedia.org/wiki/Qu%C3%ADmica_cu%C3%A1ntica" title="Química cuántica – asturština" lang="ast" hreflang="ast" data-title="Química cuántica" data-language-autonym="Asturianu" data-language-local-name="asturština" class="interlanguage-link-target"><span>Asturianu</span></a></li><li class="interlanguage-link interwiki-be mw-list-item"><a href="https://be.wikipedia.org/wiki/%D0%9A%D0%B2%D0%B0%D0%BD%D1%82%D0%B0%D0%B2%D0%B0%D1%8F_%D1%85%D1%96%D0%BC%D1%96%D1%8F" title="Квантавая хімія – běloruština" lang="be" hreflang="be" data-title="Квантавая хімія" data-language-autonym="Беларуская" data-language-local-name="běloruština" class="interlanguage-link-target"><span>Беларуская</span></a></li><li class="interlanguage-link interwiki-bg mw-list-item"><a href="https://bg.wikipedia.org/wiki/%D0%9A%D0%B2%D0%B0%D0%BD%D1%82%D0%BE%D0%B2%D0%B0_%D1%85%D0%B8%D0%BC%D0%B8%D1%8F" title="Квантова химия – bulharština" lang="bg" hreflang="bg" data-title="Квантова химия" data-language-autonym="Български" data-language-local-name="bulharština" class="interlanguage-link-target"><span>Български</span></a></li><li class="interlanguage-link interwiki-bn mw-list-item"><a href="https://bn.wikipedia.org/wiki/%E0%A6%95%E0%A7%8B%E0%A6%AF%E0%A6%BC%E0%A6%BE%E0%A6%A8%E0%A7%8D%E0%A6%9F%E0%A6%BE%E0%A6%AE_%E0%A6%B0%E0%A6%B8%E0%A6%BE%E0%A6%AF%E0%A6%BC%E0%A6%A8" title="কোয়ান্টাম রসায়ন – bengálština" lang="bn" hreflang="bn" data-title="কোয়ান্টাম রসায়ন" data-language-autonym="বাংলা" data-language-local-name="bengálština" class="interlanguage-link-target"><span>বাংলা</span></a></li><li class="interlanguage-link interwiki-bs mw-list-item"><a href="https://bs.wikipedia.org/wiki/Kvantna_hemija" title="Kvantna hemija – bosenština" lang="bs" hreflang="bs" data-title="Kvantna hemija" data-language-autonym="Bosanski" data-language-local-name="bosenština" class="interlanguage-link-target"><span>Bosanski</span></a></li><li class="interlanguage-link interwiki-ca mw-list-item"><a href="https://ca.wikipedia.org/wiki/Qu%C3%ADmica_qu%C3%A0ntica" title="Química quàntica – katalánština" lang="ca" hreflang="ca" data-title="Química quàntica" data-language-autonym="Català" data-language-local-name="katalánština" class="interlanguage-link-target"><span>Català</span></a></li><li class="interlanguage-link interwiki-cv mw-list-item"><a href="https://cv.wikipedia.org/wiki/%D0%9A%D0%B2%D0%B0%D0%BD%D1%82%C4%83%D0%BB%D0%BB%C4%83_%D1%85%D0%B8%D0%BC%D0%B8" title="Квантăллă хими – čuvaština" lang="cv" hreflang="cv" data-title="Квантăллă хими" data-language-autonym="Чӑвашла" data-language-local-name="čuvaština" class="interlanguage-link-target"><span>Чӑвашла</span></a></li><li class="interlanguage-link interwiki-da mw-list-item"><a href="https://da.wikipedia.org/wiki/Kvantekemi" title="Kvantekemi – dánština" lang="da" hreflang="da" data-title="Kvantekemi" data-language-autonym="Dansk" data-language-local-name="dánština" class="interlanguage-link-target"><span>Dansk</span></a></li><li class="interlanguage-link interwiki-de mw-list-item"><a href="https://de.wikipedia.org/wiki/Quantenchemie" title="Quantenchemie – němčina" lang="de" hreflang="de" data-title="Quantenchemie" data-language-autonym="Deutsch" data-language-local-name="němčina" class="interlanguage-link-target"><span>Deutsch</span></a></li><li class="interlanguage-link interwiki-el mw-list-item"><a href="https://el.wikipedia.org/wiki/%CE%9A%CE%B2%CE%B1%CE%BD%CF%84%CE%B9%CE%BA%CE%AE_%CF%87%CE%B7%CE%BC%CE%B5%CE%AF%CE%B1" title="Κβαντική χημεία – řečtina" lang="el" hreflang="el" data-title="Κβαντική χημεία" data-language-autonym="Ελληνικά" data-language-local-name="řečtina" class="interlanguage-link-target"><span>Ελληνικά</span></a></li><li class="interlanguage-link interwiki-en mw-list-item"><a href="https://en.wikipedia.org/wiki/Quantum_chemistry" title="Quantum chemistry – angličtina" lang="en" hreflang="en" data-title="Quantum chemistry" data-language-autonym="English" data-language-local-name="angličtina" class="interlanguage-link-target"><span>English</span></a></li><li class="interlanguage-link interwiki-eo mw-list-item"><a href="https://eo.wikipedia.org/wiki/Kvantuma_kemio" title="Kvantuma kemio – esperanto" lang="eo" hreflang="eo" data-title="Kvantuma kemio" data-language-autonym="Esperanto" data-language-local-name="esperanto" class="interlanguage-link-target"><span>Esperanto</span></a></li><li class="interlanguage-link interwiki-es mw-list-item"><a href="https://es.wikipedia.org/wiki/Qu%C3%ADmica_cu%C3%A1ntica" title="Química cuántica – španělština" lang="es" hreflang="es" data-title="Química cuántica" data-language-autonym="Español" data-language-local-name="španělština" class="interlanguage-link-target"><span>Español</span></a></li><li class="interlanguage-link interwiki-et mw-list-item"><a href="https://et.wikipedia.org/wiki/Kvantkeemia" title="Kvantkeemia – estonština" lang="et" hreflang="et" data-title="Kvantkeemia" data-language-autonym="Eesti" data-language-local-name="estonština" class="interlanguage-link-target"><span>Eesti</span></a></li><li class="interlanguage-link interwiki-eu mw-list-item"><a href="https://eu.wikipedia.org/wiki/Kimika_kuantiko" title="Kimika kuantiko – baskičtina" lang="eu" hreflang="eu" data-title="Kimika kuantiko" data-language-autonym="Euskara" data-language-local-name="baskičtina" class="interlanguage-link-target"><span>Euskara</span></a></li><li class="interlanguage-link interwiki-fa mw-list-item"><a href="https://fa.wikipedia.org/wiki/%D8%B4%DB%8C%D9%85%DB%8C_%DA%A9%D9%88%D8%A7%D9%86%D8%AA%D9%88%D9%85%DB%8C" title="شیمی کوانتومی – perština" lang="fa" hreflang="fa" data-title="شیمی کوانتومی" data-language-autonym="فارسی" data-language-local-name="perština" class="interlanguage-link-target"><span>فارسی</span></a></li><li class="interlanguage-link interwiki-fi mw-list-item"><a href="https://fi.wikipedia.org/wiki/Kvanttikemia" title="Kvanttikemia – finština" lang="fi" hreflang="fi" data-title="Kvanttikemia" data-language-autonym="Suomi" data-language-local-name="finština" class="interlanguage-link-target"><span>Suomi</span></a></li><li class="interlanguage-link interwiki-fr mw-list-item"><a href="https://fr.wikipedia.org/wiki/Chimie_quantique" title="Chimie quantique – francouzština" lang="fr" hreflang="fr" data-title="Chimie quantique" data-language-autonym="Français" data-language-local-name="francouzština" class="interlanguage-link-target"><span>Français</span></a></li><li class="interlanguage-link interwiki-gl mw-list-item"><a href="https://gl.wikipedia.org/wiki/Qu%C3%ADmica_cu%C3%A1ntica" title="Química cuántica – galicijština" lang="gl" hreflang="gl" data-title="Química cuántica" data-language-autonym="Galego" data-language-local-name="galicijština" class="interlanguage-link-target"><span>Galego</span></a></li><li class="interlanguage-link interwiki-he mw-list-item"><a href="https://he.wikipedia.org/wiki/%D7%9B%D7%99%D7%9E%D7%99%D7%94_%D7%A7%D7%95%D7%95%D7%A0%D7%98%D7%99%D7%AA" title="כימיה קוונטית – hebrejština" lang="he" hreflang="he" data-title="כימיה קוונטית" data-language-autonym="עברית" data-language-local-name="hebrejština" class="interlanguage-link-target"><span>עברית</span></a></li><li class="interlanguage-link interwiki-hi mw-list-item"><a href="https://hi.wikipedia.org/wiki/%E0%A4%AA%E0%A5%8D%E0%A4%B0%E0%A4%AE%E0%A4%BE%E0%A4%A4%E0%A5%8D%E0%A4%B0%E0%A4%BE_%E0%A4%B0%E0%A4%B8%E0%A4%BE%E0%A4%AF%E0%A4%A8%E0%A4%BF%E0%A4%95%E0%A5%80" title="प्रमात्रा रसायनिकी – hindština" lang="hi" hreflang="hi" data-title="प्रमात्रा रसायनिकी" data-language-autonym="हिन्दी" data-language-local-name="hindština" class="interlanguage-link-target"><span>हिन्दी</span></a></li><li class="interlanguage-link interwiki-hu mw-list-item"><a href="https://hu.wikipedia.org/wiki/Kvantumk%C3%A9mia" title="Kvantumkémia – maďarština" lang="hu" hreflang="hu" data-title="Kvantumkémia" data-language-autonym="Magyar" data-language-local-name="maďarština" class="interlanguage-link-target"><span>Magyar</span></a></li><li class="interlanguage-link interwiki-hy mw-list-item"><a href="https://hy.wikipedia.org/wiki/%D5%94%D5%BE%D5%A1%D5%B6%D5%BF%D5%A1%D5%B5%D5%AB%D5%B6_%D6%84%D5%AB%D5%B4%D5%AB%D5%A1" title="Քվանտային քիմիա – arménština" lang="hy" hreflang="hy" data-title="Քվանտային քիմիա" data-language-autonym="Հայերեն" data-language-local-name="arménština" class="interlanguage-link-target"><span>Հայերեն</span></a></li><li class="interlanguage-link interwiki-id mw-list-item"><a href="https://id.wikipedia.org/wiki/Kimia_kuantum" title="Kimia kuantum – indonéština" lang="id" hreflang="id" data-title="Kimia kuantum" data-language-autonym="Bahasa Indonesia" data-language-local-name="indonéština" class="interlanguage-link-target"><span>Bahasa Indonesia</span></a></li><li class="interlanguage-link interwiki-it mw-list-item"><a href="https://it.wikipedia.org/wiki/Chimica_quantistica" title="Chimica quantistica – italština" lang="it" hreflang="it" data-title="Chimica quantistica" data-language-autonym="Italiano" data-language-local-name="italština" class="interlanguage-link-target"><span>Italiano</span></a></li><li class="interlanguage-link interwiki-ja mw-list-item"><a href="https://ja.wikipedia.org/wiki/%E9%87%8F%E5%AD%90%E5%8C%96%E5%AD%A6" title="量子化学 – japonština" lang="ja" hreflang="ja" data-title="量子化学" data-language-autonym="日本語" data-language-local-name="japonština" class="interlanguage-link-target"><span>日本語</span></a></li><li class="interlanguage-link interwiki-jv mw-list-item"><a href="https://jv.wikipedia.org/wiki/Kimia_kuantum" title="Kimia kuantum – javánština" lang="jv" hreflang="jv" data-title="Kimia kuantum" data-language-autonym="Jawa" data-language-local-name="javánština" class="interlanguage-link-target"><span>Jawa</span></a></li><li class="interlanguage-link interwiki-ka mw-list-item"><a href="https://ka.wikipedia.org/wiki/%E1%83%99%E1%83%95%E1%83%90%E1%83%9C%E1%83%A2%E1%83%A3%E1%83%A0%E1%83%98_%E1%83%A5%E1%83%98%E1%83%9B%E1%83%98%E1%83%90" title="კვანტური ქიმია – gruzínština" lang="ka" hreflang="ka" data-title="კვანტური ქიმია" data-language-autonym="ქართული" data-language-local-name="gruzínština" class="interlanguage-link-target"><span>ქართული</span></a></li><li class="interlanguage-link interwiki-kk mw-list-item"><a href="https://kk.wikipedia.org/wiki/%D0%9A%D0%B2%D0%B0%D0%BD%D1%82%D1%82%D1%8B%D2%9B_%D1%85%D0%B8%D0%BC%D0%B8%D1%8F" title="Кванттық химия – kazaština" lang="kk" hreflang="kk" data-title="Кванттық химия" data-language-autonym="Қазақша" data-language-local-name="kazaština" class="interlanguage-link-target"><span>Қазақша</span></a></li><li class="interlanguage-link interwiki-ko mw-list-item"><a href="https://ko.wikipedia.org/wiki/%EC%96%91%EC%9E%90%ED%99%94%ED%95%99" title="양자화학 – korejština" lang="ko" hreflang="ko" data-title="양자화학" data-language-autonym="한국어" data-language-local-name="korejština" class="interlanguage-link-target"><span>한국어</span></a></li><li class="interlanguage-link interwiki-ky mw-list-item"><a href="https://ky.wikipedia.org/wiki/%D0%9A%D0%B2%D0%B0%D0%BD%D1%82%D1%82%D1%8B%D0%BA_%D1%85%D0%B8%D0%BC%D0%B8%D1%8F" title="Кванттык химия – kyrgyzština" lang="ky" hreflang="ky" data-title="Кванттык химия" data-language-autonym="Кыргызча" data-language-local-name="kyrgyzština" class="interlanguage-link-target"><span>Кыргызча</span></a></li><li class="interlanguage-link interwiki-la mw-list-item"><a href="https://la.wikipedia.org/wiki/Chemia_quantica" title="Chemia quantica – latina" lang="la" hreflang="la" data-title="Chemia quantica" data-language-autonym="Latina" data-language-local-name="latina" class="interlanguage-link-target"><span>Latina</span></a></li><li class="interlanguage-link interwiki-lb mw-list-item"><a href="https://lb.wikipedia.org/wiki/Quantechimie" title="Quantechimie – lucemburština" lang="lb" hreflang="lb" data-title="Quantechimie" data-language-autonym="Lëtzebuergesch" data-language-local-name="lucemburština" class="interlanguage-link-target"><span>Lëtzebuergesch</span></a></li><li class="interlanguage-link interwiki-lmo mw-list-item"><a href="https://lmo.wikipedia.org/wiki/Chimica_quantistica" title="Chimica quantistica – lombardština" lang="lmo" hreflang="lmo" data-title="Chimica quantistica" data-language-autonym="Lombard" data-language-local-name="lombardština" class="interlanguage-link-target"><span>Lombard</span></a></li><li class="interlanguage-link interwiki-lt mw-list-item"><a href="https://lt.wikipedia.org/wiki/Kvantin%C4%97_chemija" title="Kvantinė chemija – litevština" lang="lt" hreflang="lt" data-title="Kvantinė chemija" data-language-autonym="Lietuvių" data-language-local-name="litevština" class="interlanguage-link-target"><span>Lietuvių</span></a></li><li class="interlanguage-link interwiki-lv mw-list-item"><a href="https://lv.wikipedia.org/wiki/Kvantu_%C4%B7%C4%ABmija" title="Kvantu ķīmija – lotyština" lang="lv" hreflang="lv" data-title="Kvantu ķīmija" data-language-autonym="Latviešu" data-language-local-name="lotyština" class="interlanguage-link-target"><span>Latviešu</span></a></li><li class="interlanguage-link interwiki-nl mw-list-item"><a href="https://nl.wikipedia.org/wiki/Kwantumchemie" title="Kwantumchemie – nizozemština" lang="nl" hreflang="nl" data-title="Kwantumchemie" data-language-autonym="Nederlands" data-language-local-name="nizozemština" class="interlanguage-link-target"><span>Nederlands</span></a></li><li class="interlanguage-link interwiki-no mw-list-item"><a href="https://no.wikipedia.org/wiki/Kvantekjemi" title="Kvantekjemi – norština (bokmål)" lang="nb" hreflang="nb" data-title="Kvantekjemi" data-language-autonym="Norsk bokmål" data-language-local-name="norština (bokmål)" class="interlanguage-link-target"><span>Norsk bokmål</span></a></li><li class="interlanguage-link interwiki-oc mw-list-item"><a href="https://oc.wikipedia.org/wiki/Quimia_quantica" title="Quimia quantica – okcitánština" lang="oc" hreflang="oc" data-title="Quimia quantica" data-language-autonym="Occitan" data-language-local-name="okcitánština" class="interlanguage-link-target"><span>Occitan</span></a></li><li class="interlanguage-link interwiki-pl mw-list-item"><a href="https://pl.wikipedia.org/wiki/Chemia_kwantowa" title="Chemia kwantowa – polština" lang="pl" hreflang="pl" data-title="Chemia kwantowa" data-language-autonym="Polski" data-language-local-name="polština" class="interlanguage-link-target"><span>Polski</span></a></li><li class="interlanguage-link interwiki-pt mw-list-item"><a href="https://pt.wikipedia.org/wiki/Qu%C3%ADmica_qu%C3%A2ntica" title="Química quântica – portugalština" lang="pt" hreflang="pt" data-title="Química quântica" data-language-autonym="Português" data-language-local-name="portugalština" class="interlanguage-link-target"><span>Português</span></a></li><li class="interlanguage-link interwiki-ro mw-list-item"><a href="https://ro.wikipedia.org/wiki/Chimie_cuantic%C4%83" title="Chimie cuantică – rumunština" lang="ro" hreflang="ro" data-title="Chimie cuantică" data-language-autonym="Română" data-language-local-name="rumunština" class="interlanguage-link-target"><span>Română</span></a></li><li class="interlanguage-link interwiki-ru mw-list-item"><a href="https://ru.wikipedia.org/wiki/%D0%9A%D0%B2%D0%B0%D0%BD%D1%82%D0%BE%D0%B2%D0%B0%D1%8F_%D1%85%D0%B8%D0%BC%D0%B8%D1%8F" title="Квантовая химия – ruština" lang="ru" hreflang="ru" data-title="Квантовая химия" data-language-autonym="Русский" data-language-local-name="ruština" class="interlanguage-link-target"><span>Русский</span></a></li><li class="interlanguage-link interwiki-scn mw-list-item"><a href="https://scn.wikipedia.org/wiki/Ch%C3%ACmica_quant%C3%ACstica" title="Chìmica quantìstica – sicilština" lang="scn" hreflang="scn" data-title="Chìmica quantìstica" data-language-autonym="Sicilianu" data-language-local-name="sicilština" class="interlanguage-link-target"><span>Sicilianu</span></a></li><li class="interlanguage-link interwiki-sco mw-list-item"><a href="https://sco.wikipedia.org/wiki/Quantum_chemistry" title="Quantum chemistry – skotština" lang="sco" hreflang="sco" data-title="Quantum chemistry" data-language-autonym="Scots" data-language-local-name="skotština" class="interlanguage-link-target"><span>Scots</span></a></li><li class="interlanguage-link interwiki-sh mw-list-item"><a href="https://sh.wikipedia.org/wiki/Kvantna_hemija" title="Kvantna hemija – srbochorvatština" lang="sh" hreflang="sh" data-title="Kvantna hemija" data-language-autonym="Srpskohrvatski / српскохрватски" data-language-local-name="srbochorvatština" class="interlanguage-link-target"><span>Srpskohrvatski / српскохрватски</span></a></li><li class="interlanguage-link interwiki-sk mw-list-item"><a href="https://sk.wikipedia.org/wiki/Kvantov%C3%A1_ch%C3%A9mia" title="Kvantová chémia – slovenština" lang="sk" hreflang="sk" data-title="Kvantová chémia" data-language-autonym="Slovenčina" data-language-local-name="slovenština" class="interlanguage-link-target"><span>Slovenčina</span></a></li><li class="interlanguage-link interwiki-sq mw-list-item"><a href="https://sq.wikipedia.org/wiki/Kimia_kuantike" title="Kimia kuantike – albánština" lang="sq" hreflang="sq" data-title="Kimia kuantike" data-language-autonym="Shqip" data-language-local-name="albánština" class="interlanguage-link-target"><span>Shqip</span></a></li><li class="interlanguage-link interwiki-sr mw-list-item"><a href="https://sr.wikipedia.org/wiki/Kvantna_hemija" title="Kvantna hemija – srbština" lang="sr" hreflang="sr" data-title="Kvantna hemija" data-language-autonym="Српски / srpski" data-language-local-name="srbština" class="interlanguage-link-target"><span>Српски / srpski</span></a></li><li class="interlanguage-link interwiki-su mw-list-item"><a href="https://su.wikipedia.org/wiki/Kimia_kuantum" title="Kimia kuantum – sundština" lang="su" hreflang="su" data-title="Kimia kuantum" data-language-autonym="Sunda" data-language-local-name="sundština" class="interlanguage-link-target"><span>Sunda</span></a></li><li class="interlanguage-link interwiki-sv mw-list-item"><a href="https://sv.wikipedia.org/wiki/Kvantkemi" title="Kvantkemi – švédština" lang="sv" hreflang="sv" data-title="Kvantkemi" data-language-autonym="Svenska" data-language-local-name="švédština" class="interlanguage-link-target"><span>Svenska</span></a></li><li class="interlanguage-link interwiki-ta mw-list-item"><a href="https://ta.wikipedia.org/wiki/%E0%AE%95%E0%AF%81%E0%AE%B5%E0%AF%88%E0%AE%AF_%E0%AE%B5%E0%AF%87%E0%AE%A4%E0%AE%BF%E0%AE%AF%E0%AE%BF%E0%AE%AF%E0%AE%B2%E0%AF%8D" title="குவைய வேதியியல் – tamilština" lang="ta" hreflang="ta" data-title="குவைய வேதியியல்" data-language-autonym="தமிழ்" data-language-local-name="tamilština" class="interlanguage-link-target"><span>தமிழ்</span></a></li><li class="interlanguage-link interwiki-tl mw-list-item"><a href="https://tl.wikipedia.org/wiki/Kimikang_pangkwantum" title="Kimikang pangkwantum – tagalog" lang="tl" hreflang="tl" data-title="Kimikang pangkwantum" data-language-autonym="Tagalog" data-language-local-name="tagalog" class="interlanguage-link-target"><span>Tagalog</span></a></li><li class="interlanguage-link interwiki-tr mw-list-item"><a href="https://tr.wikipedia.org/wiki/Kuantum_kimyas%C4%B1" title="Kuantum kimyası – turečtina" lang="tr" hreflang="tr" data-title="Kuantum kimyası" data-language-autonym="Türkçe" data-language-local-name="turečtina" class="interlanguage-link-target"><span>Türkçe</span></a></li><li class="interlanguage-link interwiki-uk mw-list-item"><a href="https://uk.wikipedia.org/wiki/%D0%9A%D0%B2%D0%B0%D0%BD%D1%82%D0%BE%D0%B2%D0%B0_%D1%85%D1%96%D0%BC%D1%96%D1%8F" title="Квантова хімія – ukrajinština" lang="uk" hreflang="uk" data-title="Квантова хімія" data-language-autonym="Українська" data-language-local-name="ukrajinština" class="interlanguage-link-target"><span>Українська</span></a></li><li class="interlanguage-link interwiki-ur mw-list-item"><a href="https://ur.wikipedia.org/wiki/%D9%85%D9%82%D8%AF%D8%A7%D8%B1%DB%8C%DB%81_%DA%A9%DB%8C%D9%85%DB%8C%D8%A7" title="مقداریہ کیمیا – urdština" lang="ur" hreflang="ur" data-title="مقداریہ کیمیا" data-language-autonym="اردو" data-language-local-name="urdština" class="interlanguage-link-target"><span>اردو</span></a></li><li class="interlanguage-link interwiki-vi mw-list-item"><a href="https://vi.wikipedia.org/wiki/H%C3%B3a_h%E1%BB%8Dc_l%C6%B0%E1%BB%A3ng_t%E1%BB%AD" title="Hóa học lượng tử – vietnamština" lang="vi" hreflang="vi" data-title="Hóa học lượng tử" data-language-autonym="Tiếng Việt" data-language-local-name="vietnamština" class="interlanguage-link-target"><span>Tiếng Việt</span></a></li><li class="interlanguage-link interwiki-war mw-list-item"><a href="https://war.wikipedia.org/wiki/Kimika_kwantum" title="Kimika kwantum – warajština" lang="war" hreflang="war" data-title="Kimika kwantum" data-language-autonym="Winaray" data-language-local-name="warajština" class="interlanguage-link-target"><span>Winaray</span></a></li><li class="interlanguage-link interwiki-wuu mw-list-item"><a href="https://wuu.wikipedia.org/wiki/%E9%87%8F%E5%AD%90%E5%8C%96%E5%AD%A6" title="量子化学 – čínština (dialekty Wu)" lang="wuu" hreflang="wuu" data-title="量子化学" data-language-autonym="吴语" data-language-local-name="čínština (dialekty Wu)" class="interlanguage-link-target"><span>吴语</span></a></li><li class="interlanguage-link interwiki-zh mw-list-item"><a href="https://zh.wikipedia.org/wiki/%E9%87%8F%E5%AD%90%E5%8C%96%E5%AD%A6" title="量子化学 – čínština" lang="zh" hreflang="zh" data-title="量子化学" data-language-autonym="中文" data-language-local-name="čínština" class="interlanguage-link-target"><span>中文</span></a></li><li class="interlanguage-link interwiki-zh-yue 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href="/wiki/Speci%C3%A1ln%C3%AD:Co_odkazuje_na/Kvantov%C3%A1_chemie" title="Seznam všech wikistránek, které sem odkazují [j]" accesskey="j"><span>Odkazuje sem</span></a></li><li id="t-recentchangeslinked" class="mw-list-item"><a href="/wiki/Speci%C3%A1ln%C3%AD:Souvisej%C3%ADc%C3%AD_zm%C4%9Bny/Kvantov%C3%A1_chemie" rel="nofollow" title="Nedávné změny stránek, na které je odkazováno [k]" accesskey="k"><span>Související změny</span></a></li><li id="t-upload" class="mw-list-item"><a href="//commons.wikimedia.org/wiki/Special:UploadWizard?uselang=cs" title="Nahrát obrázky či jiná multimédia [u]" accesskey="u"><span>Načíst soubor</span></a></li><li id="t-specialpages" class="mw-list-item"><a href="/wiki/Speci%C3%A1ln%C3%AD:Speci%C3%A1ln%C3%AD_str%C3%A1nky" title="Seznam všech speciálních stránek [q]" accesskey="q"><span>Speciální stránky</span></a></li><li id="t-permalink" class="mw-list-item"><a href="/w/index.php?title=Kvantov%C3%A1_chemie&oldid=23225252" title="Trvalý odkaz na současnou 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id="siteSub" class="noprint">Z Wikipedie, otevřené encyklopedie</div> </div> <div id="contentSub"><div id="mw-content-subtitle"></div></div> <div id="mw-content-text" class="mw-body-content"><div class="mw-content-ltr mw-parser-output" lang="cs" dir="ltr"><figure class="mw-default-size" typeof="mw:File/Thumb"><a href="/wiki/Soubor:Helium_atom_QM.svg" class="mw-file-description"><img src="//upload.wikimedia.org/wikipedia/commons/thumb/2/23/Helium_atom_QM.svg/220px-Helium_atom_QM.svg.png" decoding="async" width="220" height="221" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/2/23/Helium_atom_QM.svg/330px-Helium_atom_QM.svg.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/2/23/Helium_atom_QM.svg/440px-Helium_atom_QM.svg.png 2x" data-file-width="665" data-file-height="667" /></a><figcaption>Model atomu Helia</figcaption></figure> <p><b>Kvantová chemie</b> je obor <a href="/wiki/Teoretick%C3%A1_chemie" title="Teoretická chemie">teoretické chemie</a>, který využívá <a href="/wiki/Kvantov%C3%A1_mechanika" title="Kvantová mechanika">kvantovou mechaniku</a> a <a href="/wiki/Kvantov%C3%A1_teorie_pole" title="Kvantová teorie pole">teorii kvantového pole</a> k řešení <a href="/wiki/Chemie" title="Chemie">chemických</a> problémů. Studuje stavy jednotlivých <a href="/wiki/Atom" title="Atom">atomů</a> a <a href="/wiki/Molekula" title="Molekula">molekul</a> - jejich stabilní, excitované a přechodné stavy, ke kterým dochází během <a href="/wiki/Chemick%C3%A1_reakce" title="Chemická reakce">chemických reakcí</a>. Kvantová chemie leží na rozhraní mezi <a href="/wiki/Chemie" title="Chemie">chemií</a> a <a href="/wiki/Fyzika" title="Fyzika">fyzikou</a> a dává návod na výpočet vlastností atomů a molekul s pomocí základních <a href="/wiki/Fyzik%C3%A1ln%C3%AD_konstanty" title="Fyzikální konstanty">fyzikálních konstant</a>. </p><p>Jednou z nejdůležitějších oblastí kvantové chemie je popis chování <a href="/wiki/Elektron" title="Elektron">elektronů</a> v atomech a molekulách a jejich vliv na reaktivitu. Porozumění elektronové struktuře atomů a molekul umožnila v roce 1926 <a href="/wiki/Schr%C3%B6dingerova_rovnice" title="Schrödingerova rovnice">Schrödingerova rovnice</a>, která se stala základem kvantové chemie. </p><p> Nadšení nad krásou chemie ukryté v jediném vzorci nebylo vždy sdíleno. V roce 1830 <a href="/wiki/Auguste_Comte" title="Auguste Comte">Auguste Comte</a> napsal:<style data-mw-deduplicate="TemplateStyles:r24379176">.mw-parser-output blockquote.blockquote-framed{border:1px solid var(--border-color-divider,#a2a9b1);background-color:var(--background-color-neutral-subtle,#f8f9fa);float:none;padding:10px 15px 10px 15px;display:table}.mw-parser-output blockquote.blockquote-framed p.citat-v-ramecku-foot{text-align:right}</style></p><blockquote class="blockquote-framed" style=""><div>Každý pokus o zavedení matematických metod ke studiu chemických problémů musí být považován za hluboce iracionální a odporující duchu chemie. Jestliže by matematika měla hrát někdy významnou úlohu v chemii – úchylka naštěstí málo pravděpodobná – vedlo by to k rychlé degeneraci této vědy.</div> </blockquote><p>Ale již o sto let později, roku 1929, napsal zakladatel relativistické kvantové mechaniky <a href="/wiki/Paul_Dirac" title="Paul Dirac">Paul Dirac</a>:<link rel="mw-deduplicated-inline-style" href="mw-data:TemplateStyles:r24379176"></p><blockquote class="blockquote-framed" style=""><div>Fyzikální zákony, které jsou nezbytné pro matematickou teorii velké části fyziky a veškerou chemii, jsou zcela známy. Jediná potíž tkví v tom, že přesné použití těchto zákonů vede k příliš složitým rovnicím, než aby se daly řešit.</div> </blockquote><p>V současnosti je jednou z nejvýznamnějších metod kvantové chemie <a href="/wiki/Spektroskopie" title="Spektroskopie">spektroskopie</a>, která umožňuje získat informace na úrovni atomů a molekul. Nejpoužívanějšími jsou <a href="/wiki/Infra%C4%8Derven%C3%A1_spektroskopie" title="Infračervená spektroskopie">infračervená spektroskopie</a> (IR) a <a href="/wiki/Spektroskopie_nukle%C3%A1rn%C3%AD_magnetick%C3%A9_rezonance" title="Spektroskopie nukleární magnetické rezonance">spektroskopie nukleární magnetické rezonance</a> (NMR). </p><div class="mw-heading mw-heading2"><h2 id="Historie_kvantové_chemie"><span id="Historie_kvantov.C3.A9_chemie"></span>Historie kvantové chemie</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Kvantov%C3%A1_chemie&veaction=edit&section=1" title="Editace sekce: Historie kvantové chemie" class="mw-editsection-visualeditor"><span>editovat</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Kvantov%C3%A1_chemie&action=edit&section=1" title="Editovat zdrojový kód sekce Historie kvantové chemie"><span>editovat zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <p>Historie kvantové chemie začíná objevem katodových paprsků <a href="/wiki/Michael_Faraday" title="Michael Faraday">Michaela Faradayem</a> v roce 1838, prohlášením Gustava Kirchhoffaz roku 1859 o problému s radiací <a href="/wiki/Absolutn%C4%9B_%C4%8Dern%C3%A9_t%C4%9Bleso" title="Absolutně černé těleso">černého tělesa</a>, objevem diskrétních energetických stavů fyzikálních systému <a href="/wiki/Ludwig_Boltzmann" title="Ludwig Boltzmann">Ludwiga Boltzmanna</a> z roku 1877 a kvantovou hypotézou <a href="/wiki/Max_Planck" title="Max Planck">Maxe Plancka</a> z roku 1900. Tato kvantová hypotéza definuje energii, kterou vyzařuje atomový systém, jako řadu diskrétních jednotlivých energetických prvků <i>ε</i> určených frekvenci <i>ν a</i> číselnou hodnotu zvanou <a href="/wiki/Planckova_konstanta" title="Planckova konstanta">Planckova konstanta</a>. </p> <figure class="mw-default-size" typeof="mw:File/Thumb"><a href="/wiki/Soubor:Bohr_atom_model.svg" class="mw-file-description"><img src="//upload.wikimedia.org/wikipedia/commons/thumb/9/93/Bohr_atom_model.svg/220px-Bohr_atom_model.svg.png" decoding="async" width="220" height="192" class="mw-file-element" srcset="//upload.wikimedia.org/wikipedia/commons/thumb/9/93/Bohr_atom_model.svg/330px-Bohr_atom_model.svg.png 1.5x, //upload.wikimedia.org/wikipedia/commons/thumb/9/93/Bohr_atom_model.svg/440px-Bohr_atom_model.svg.png 2x" data-file-width="310" data-file-height="270" /></a><figcaption>Bohrův model atomu</figcaption></figure> <p>V roce 1905 <a href="/wiki/Albert_Einstein" title="Albert Einstein">Albert Einstein</a> na základě Planckovy kvantové hypotézy uvedl, že samotné světlo se skládá z jednotlivých kvantových částic, které se od roku 1926 začaly nazývat <a href="/wiki/Foton" title="Foton">fotony</a>. V následujících letech se tento teoretický základ začal aplikovat na chemickou strukturu a reaktivitu atomů a molekul. Pravděpodobně největší přínos v této oblasti měl <a href="/wiki/Linus_Pauling" title="Linus Pauling">Linus Pauling</a>. </p><p>Zrození kvantové chemie jako oboru je připisováno objevu Schrödingerovy rovnice a její aplikací na atom vodíku v roce 1926. Dalšími milníky v historii kvantové chemie jsou články Waltera Heitlera a Fritze Londonaz roku 1927. Jedná se o první aplikaci kvantové mechaniky na molekulu vodíku a jeho chemické vazby. </p><p>V následujících letech se kvantové chemii věnovalo mnoho významných vědců, patří mezi ně například <a href="/wiki/Robert_Mulliken" title="Robert Mulliken">Robert S. Mulliken</a>, <a href="/wiki/Max_Born" title="Max Born">Max Born</a>, <a href="/wiki/Robert_Oppenheimer" title="Robert Oppenheimer">J. Robert Oppenheimer</a>, <a href="/wiki/Linus_Pauling" title="Linus Pauling">Linus Pauling</a>, Erich Hückel, Douglas Hartree, <a href="/wiki/Vladimir_Alexandrovi%C4%8D_Fok" title="Vladimir Alexandrovič Fok">Vladimir Fock</a>. </p> <div class="mw-heading mw-heading2"><h2 id="Externí_odkazy"><span id="Extern.C3.AD_odkazy"></span>Externí odkazy</h2><span class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Kvantov%C3%A1_chemie&veaction=edit&section=2" title="Editace sekce: Externí odkazy" class="mw-editsection-visualeditor"><span>editovat</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Kvantov%C3%A1_chemie&action=edit&section=2" title="Editovat zdrojový kód sekce Externí odkazy"><span>editovat zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <ul><li><span class="wd"><span class="sisterproject sisterproject-commons"><span class="sisterproject_image"><span typeof="mw:File"><a 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class="mw-editsection"><span class="mw-editsection-bracket">[</span><a href="/w/index.php?title=Kvantov%C3%A1_chemie&veaction=edit&section=3" title="Editace sekce: Reference" class="mw-editsection-visualeditor"><span>editovat</span></a><span class="mw-editsection-divider"> | </span><a href="/w/index.php?title=Kvantov%C3%A1_chemie&action=edit&section=3" title="Editovat zdrojový kód sekce Reference"><span>editovat zdroj</span></a><span class="mw-editsection-bracket">]</span></span></div> <p><span class="plainlinks"><i>V tomto článku byly použity <a href="/wiki/Wikipedie:WikiProjekt_P%C5%99eklad/Rady" title="Wikipedie:WikiProjekt Překlad/Rady">překlady</a> textů z článků <a class="external text" href="https://en.wikipedia.org/wiki/Quantum_chemistry?oldid=1047604865"><span class="cizojazycne" lang="en" title="angličtina">Quantum chemistry</span></a> na anglické Wikipedii a <a class="external text" href="https://de.wikipedia.org/wiki/Quantenchemie?oldid=209146705"><span class="cizojazycne" 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