mirror of
https://github.com/LCPQ/QUESTDB_website.git
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69 lines
118 KiB
XML
69 lines
118 KiB
XML
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<rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom">
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<channel>
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<title>Welcome on QUEST: a database of highly-accurate excitation energies</title>
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<link>https://lcpq.github.io/QUESTDB_website/</link>
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<description>Recent content in Welcome on QUEST: a database of highly-accurate excitation energies</description>
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<generator>Hugo -- gohugo.io</generator>
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<language>en-us</language>
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<managingEditor>mveril@irsamc.ups-tlse.fr (M. Véril)</managingEditor>
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<webMaster>mveril@irsamc.ups-tlse.fr (M. Véril)</webMaster><atom:link href="https://lcpq.github.io/QUESTDB_website/index.xml" rel="self" type="application/rss+xml" />
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<item>
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<title>About</title>
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<link>https://lcpq.github.io/QUESTDB_website/about/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/about/</guid>
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<description>The purpose of the QUEST project is to build a comprehensive dataset of highly-accurate vertical excitation energies and properties in order to ease comparisons between computational methods designed the electronic structure community.
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QUEST is a collaborative project involving:
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Denis Jacquemin from the CEISAM laboratory in Nantes (France). Filippo Lipparini from the Universita di Pisa in Pisa (Italy). Mickaël Véril, Michel Caffarel, Martial Boggio-Pasqua, Anthony Scemama, and Pierre-François Loos, from the LCPQ laboratory in Toulouse (France).</description>
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</item>
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<item>
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<title>Dataset</title>
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<link>https://lcpq.github.io/QUESTDB_website/dataset/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/dataset/</guid>
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<description>function adjustSticky() { const height = $("nav").height() $("thead.sticky tr th ").css("top", height) } window.onload = async () = { window.browser = bowser.getParser(window.navigator.userAgent); $("input[type='checkbox']").trigger("change") $("input[type='number'].range").trigger("change") adjustSticky(); $(window).resize(adjustSticky) var slist = $("#SelectList") getAllSelect().each(function () { $("").text($('label[for="' + $(this).attr('id') + '"]').text()).appendTo(slist) }) $('[data-needbrowser],[data-neednotbrowser]').each(function () { function test(key, value) { switch (key) { case "</description>
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</item>
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<item>
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<title>Funding</title>
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<link>https://lcpq.github.io/QUESTDB_website/funding/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/funding/</guid>
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<description>This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant agreement No. 863481) Calculations related to this project were performed using HPC ressources from GENCI-TGCC and from CALMIP (Toulouse). Funding from CNRS is also acknowledged. </description>
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</item>
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<item>
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<title>Publications</title>
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<link>https://lcpq.github.io/QUESTDB_website/publications/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/publications/</guid>
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[TM]_aug-cc-pVTZ.</description>
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</item>
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<item>
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<title>Subsets</title>
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<link>https://lcpq.github.io/QUESTDB_website/subsets/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/subsets/</guid>
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<description>The QUEST database provides theoretical best estimates (TBEs) for more than 470 highly-accurate excitation energies of various natures (valence, Rydberg, \(n \rightarrow \pi^\star\) , \(\pi \rightarrow \pi^\star\) , singlet, doublet, triplet, and double excitations) for molecules ranging from diatomics to molecules as large as naphthalene. The molecules included in the QUEST dataset have been systematically optimized at the CC3/aug-cc-pVTZ level of theory, except for a very few cases.</description>
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</item>
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<item>
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<title>view</title>
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<link>https://lcpq.github.io/QUESTDB_website/view/</link>
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<pubDate>Mon, 01 Jan 0001 00:00:00 +0000</pubDate>
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<author>mveril@irsamc.ups-tlse.fr (M. Véril)</author>
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<guid>https://lcpq.github.io/QUESTDB_website/view/</guid>
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