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The Journal of Chemical Physics|April 26, 2005
Density functional calculations of molecular parity-violating effects within the zeroth-order regular approximationRobert Berger, Christoph van WüllenJournal of Computational Chemistry|November 23, 2005
Numerical instabilities in the computation of pseudopotential matrix elementsChristoph van WüllenJournal of Computational Chemistry|May 16, 2002
Spin densities in two-component relativistic density functional calculations: noncollinear versus collinear approachChristoph Van WüllenThe Journal of Chemical Physics|March 27, 2012
On the use of effective core potentials in the calculation of magnetic properties, such as magnetizabilites and magnetic shieldingsChristoph van WüllenJournal of Computational Chemistry|March 10, 2011
Shared-memory parallelization of the TURBOMOLE programs AOFORCE, ESCF, and EGRAD: how to quickly parallelize legacy codeChristoph van WüllenThe Journal of Chemical Physics|July 23, 2004
Relation between different variants of the generalized Douglas-Kroll transformation through sixth orderChristoph van WüllenThe Journal of Chemical Physics|May 27, 2009
Magnetic anisotropy from density functional calculations. Comparison of different approaches: Mn12O12 acetate as a test caseChristoph van WüllenThe Journal of Physical Chemistry. A|August 28, 2009
Broken symmetry approach to density functional calculation of magnetic anisotropy or zero field splittings for multinuclear complexes with antiferromagnetic couplingChristoph van WüllenChemistry (Weinheim an Der Bergstrasse, Germany)|July 21, 2021
Analyzing Anisotropic Exchange in a Pentanuclear Os2 Ni3 ComplexAndreas Heimermann, Christoph van WüllenThe Journal of Chemical Physics|March 27, 2007
Gradients for two-component quasirelativistic methods. Application to dihalogenides of element 116Christoph van Wüllen, Norbert LangermannPageof 11