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<span id="label-publications"></span><span id="index-0"></span><h1>2. Publications<a class="headerlink" href="#publications" title="Permalink to this headline">ΒΆ</a></h1>
<p>To acknowledge CheMPS2, please cite the following publications:</p>
<ul>
<li><div class="first line-block">
<div class="line">Sebastian Wouters, Ward Poelmans, Paul W. Ayers and Dimitri Van Neck,</div>
<div class="line">CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry,</div>
<div class="line"><em>Computer Physics Communications</em> <strong>185</strong> (6), 1501-1514 (2014),</div>
<div class="line">doi: <a class="reference external" href="http://dx.doi.org/10.1016/j.cpc.2014.01.019">10.1016/j.cpc.2014.01.019</a></div>
</div>
</li>
</ul>
<div class="highlight-tex"><div class="highlight"><pre><span></span>@article<span class="nb">{</span>CheMPS2cite1,
author = <span class="nb">{</span>Sebastian Wouters and Ward Poelmans and Paul W. Ayers and Dimitri <span class="nb">{</span>Van Neck<span class="nb">}}</span>,
title = <span class="nb">{</span>CheMPS2: a free open-source spin-adapted implementation of the density matrix renormalization group for ab initio quantum chemistry<span class="nb">}</span>,
journal = <span class="nb">{</span>Computer Physics Communications<span class="nb">}</span>,
year = <span class="nb">{</span>2014<span class="nb">}</span>,
volume = <span class="nb">{</span>185<span class="nb">}</span>,
number = <span class="nb">{</span>6<span class="nb">}</span>,
pages = <span class="nb">{</span>1501-1514<span class="nb">}</span>,
doi = <span class="nb">{</span>10.1016/j.cpc.2014.01.019<span class="nb">}</span>
<span class="nb">}</span>
</pre></div>
</div>
<ul>
<li><div class="first line-block">
<div class="line">Sebastian Wouters and Dimitri Van Neck,</div>
<div class="line">The density matrix renormalization group for ab initio quantum chemistry,</div>
<div class="line"><em>European Physical Journal D</em> <strong>68</strong> (9), 272 (2014),</div>
<div class="line">doi: <a class="reference external" href="http://dx.doi.org/10.1140/epjd/e2014-50500-1">10.1140/epjd/e2014-50500-1</a></div>
</div>
</li>
</ul>
<div class="highlight-tex"><div class="highlight"><pre><span></span>@article<span class="nb">{</span>CheMPS2cite2,
author = <span class="nb">{</span>Sebastian Wouters and Dimitri <span class="nb">{</span>Van Neck<span class="nb">}}</span>,
title = <span class="nb">{</span>The density matrix renormalization group for ab initio quantum chemistry<span class="nb">}</span>,
journal = <span class="nb">{</span>European Physical Journal D<span class="nb">}</span>,
year = <span class="nb">{</span>2014<span class="nb">}</span>,
volume = <span class="nb">{</span>68<span class="nb">}</span>,
number = <span class="nb">{</span>9<span class="nb">}</span>,
pages = <span class="nb">{</span>272<span class="nb">}</span>,
doi = <span class="nb">{</span>10.1140/epjd/e2014-50500-1<span class="nb">}</span>
<span class="nb">}</span>
</pre></div>
</div>
<ul>
<li><div class="first line-block">
<div class="line">Sebastian Wouters, Thomas Bogaerts, Pascal Van Der Voort, Veronique Van Speybroeck and Dimitri Van Neck,</div>
<div class="line">Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen),</div>
<div class="line"><em>Journal of Chemical Physics</em> <strong>140</strong> (24), 241103 (2014),</div>
<div class="line">doi: <a class="reference external" href="http://dx.doi.org/10.1063/1.4885815">10.1063/1.4885815</a></div>
</div>
</li>
</ul>
<div class="highlight-tex"><div class="highlight"><pre><span></span>@article<span class="nb">{</span>CheMPS2cite3,
author = <span class="nb">{</span>Sebastian Wouters and Thomas Bogaerts and Pascal <span class="nb">{</span>Van Der Voort<span class="nb">}</span> and Veronique <span class="nb">{</span>Van Speybroeck<span class="nb">}</span> and Dimitri <span class="nb">{</span>Van Neck<span class="nb">}}</span>,
title = <span class="nb">{</span>Communication: DMRG-SCF study of the singlet, triplet, and quintet states of oxo-Mn(Salen)<span class="nb">}</span>,
journal = <span class="nb">{</span>Journal of Chemical Physics<span class="nb">}</span>,
year = <span class="nb">{</span>2014<span class="nb">}</span>,
volume = <span class="nb">{</span>140<span class="nb">}</span>,
number = <span class="nb">{</span>24<span class="nb">}</span>,
pages = <span class="nb">{</span>241103<span class="nb">}</span>,
doi = <span class="nb">{</span>10.1063/1.4885815<span class="nb">}</span>
<span class="nb">}</span>
</pre></div>
</div>
<ul>
<li><div class="first line-block">
<div class="line">Sebastian Wouters, Veronique Van Speybroeck and Dimitri Van Neck,</div>
<div class="line">DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes,</div>
<div class="line"><em>Journal of Chemical Physics</em> <strong>145</strong> (5), 054120 (2016),</div>
<div class="line">doi: <a class="reference external" href="http://dx.doi.org/10.1063/1.4959817">10.1063/1.4959817</a></div>
</div>
</li>
</ul>
<div class="highlight-tex"><div class="highlight"><pre><span></span>@article<span class="nb">{</span>CheMPS2cite4,
author = <span class="nb">{</span>Sebastian Wouters and Veronique <span class="nb">{</span>Van Speybroeck<span class="nb">}</span> and Dimitri <span class="nb">{</span>Van Neck<span class="nb">}}</span>,
title = <span class="nb">{</span>DMRG-CASPT2 study of the longitudinal static second hyperpolarizability of all-trans polyenes<span class="nb">}</span>,
journal = <span class="nb">{</span>Journal of Chemical Physics<span class="nb">}</span>,
year = <span class="nb">{</span>2016<span class="nb">}</span>,
volume = <span class="nb">{</span>145<span class="nb">}</span>,
number = <span class="nb">{</span>5<span class="nb">}</span>,
pages = <span class="nb">{</span>054120<span class="nb">}</span>,
doi = <span class="nb">{</span>10.1063/1.4959817<span class="nb">}</span>
<span class="nb">}</span>
</pre></div>
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