https://puma.ub.uni-stuttgart.de/tag/algorithm,geometry%20function%20internal%20optimizationPUMA RSS feed for /tag/algorithm,geometry%20function%20internal%20optimization2026-04-13T20:04:57+02:00https://puma.ub.uni-stuttgart.de/bibtex/21bec19b4984b3fb49068293dcab379ed/theochemtheochem2019-03-01T15:49:39+01:00internal werner optimization,Hessian,Natural theoretische stuttgart DIIS chemie coordinates,Rational optimization from:alexanderdenzel function algorithm,Geometry theochem <span data-person-type="author" class="authorEditorList "><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Frank Eckert" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1923e5a617b8108d00df8d743eef7b411/author/0"><span itemprop="name">F. Eckert</span></a></span>, </span><span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Peter Pulay" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1923e5a617b8108d00df8d743eef7b411/author/1"><span itemprop="name">P. Pulay</span></a></span>, </span> und <span><span itemtype="http://schema.org/Person" itemscope="itemscope" itemprop="author"><a title="Hans Joachim Werner" itemprop="url" href="https://puma.ub.uni-stuttgart.de/person/1923e5a617b8108d00df8d743eef7b411/author/2"><span itemprop="name">H. Werner</span></a></span></span>. </span>(<em><span>September 1997<meta content="September 1997" itemprop="datePublished"/></span></em>)<a href="https://puma.ub.uni-stuttgart.de/bibtex/21bec19b4984b3fb49068293dcab379ed/theochem"><i>Ab initio geometry optimization for large molecules.</i></a><em><span itemprop="journal">J. Comput. Chem.</span>, </em><em>Volume 18. </em><em>Seite <span itemprop="pagination">1473–1483</span>. </em> [<a href="https://puma.ub.uni-stuttgart.de/">PUMA</a>: <a href="https://puma.ub.uni-stuttgart.de/user/theochem/internal">internal</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/werner">werner</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/optimization,Hessian,Natural">optimization,Hessian,Natural</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/theoretische">theoretische</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/stuttgart">stuttgart</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/DIIS">DIIS</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/chemie">chemie</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/coordinates,Rational">coordinates,Rational</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/optimization">optimization</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/from:alexanderdenzel">from:alexanderdenzel</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/function">function</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/algorithm,Geometry">algorithm,Geometry</a> <a href="https://puma.ub.uni-stuttgart.de/user/theochem/theochem">theochem</a>] <a href="http://dx.doi.org/10.1002/(SICI)1096-987X(199709)18:12&lt;1473::AID-JCC5&gt;3.0.CO;2-G">URL</a>