PUMA publications for /tag/theory,exchange-correlationhttps://puma.ub.uni-stuttgart.de/tag/theory,exchange-correlationPUMA RSS feed for /tag/theory,exchange-correlation2024-03-28T09:30:16+01:00Exchange-correlation energies and correlation holes for some two- and four-electron atoms along a nonlinear adiabatic connection in density functional theoryhttps://puma.ub.uni-stuttgart.de/bibtex/2393b5a8009e2afd34eadd07d7bccee79/theochemtheochem2019-03-01T15:49:41+01:00Correlation energies,Nonlinear functional holes,Density werner theoretische stuttgart chemie theory,Exchange-correlation from:alexanderdenzel adiabatic connection theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="R. Pollet" itemprop="url" href="/person/1425d395f6a7bd6bc4fab29e58e601122/author/0"><span itemprop="name">R. Pollet</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="F. Colonna" itemprop="url" href="/person/1425d395f6a7bd6bc4fab29e58e601122/author/1"><span itemprop="name">F. Colonna</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="T. Leininger" itemprop="url" href="/person/1425d395f6a7bd6bc4fab29e58e601122/author/2"><span itemprop="name">T. Leininger</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H. Stoll" itemprop="url" href="/person/1425d395f6a7bd6bc4fab29e58e601122/author/3"><span itemprop="name">H. Stoll</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="H. J. Werner" itemprop="url" href="/person/1425d395f6a7bd6bc4fab29e58e601122/author/4"><span itemprop="name">H. Werner</span></a></span>, </span> and <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="A. Savin" itemprop="url" href="/person/1425d395f6a7bd6bc4fab29e58e601122/author/5"><span itemprop="name">A. Savin</span></a></span></span>. </span><span class="additional-entrytype-information"><span itemtype="http://schema.org/PublicationIssue" itemscope="itemscope" itemprop="isPartOf"><em><span itemprop="journal">Int. J. Quantum Chem.</span>, </em> <em><span itemtype="http://schema.org/PublicationVolume" itemscope="itemscope" itemprop="isPartOf"><span itemprop="volumeNumber">91 </span></span>(<span itemprop="issueNumber">2 SPEC</span>):
<span itemprop="pagination">84–93</span></em> </span>(<em><span>2003<meta content="2003" itemprop="datePublished"/></span></em>)</span>Fri Mar 01 15:49:41 CET 2019Int. J. Quantum Chem.2 SPEC84–93{Exchange-correlation energies and correlation holes for some two- and four-electron atoms along a nonlinear adiabatic connection in density functional theory}912003Correlation energies,Nonlinear functional holes,Density werner theoretische stuttgart chemie theory,Exchange-correlation from:alexanderdenzel adiabatic connection theochem The adiabatic connection procedure of density functional theory has been applied to two- and four-electron atomic systems by following a nonlinear path that leads from the noninteracting Kohn-Sham reference system to the physical one. We have calculated the exchange and correlation energies as the interaction strength is increased, as well as the densities of the corresponding correlation holes. (C) 2002 Wiley Periodicals, Inc.