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Self-consistent treatment of spin–orbit interactions with efficient Hartree–Fock and density functional methods

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Forschungszentrum Karlsruhe GmbH, Institut für Nanotechnologie, P. O. Box 3640, Karlsruhe, Germany
E-mail: florian.weigend@int.fzk.de
Technische Universität Kaiserslautern, Erwin Schrödinger-Str. 52, D-67663 Kaiserslautern, Germany
Center for Functional Nanostructures (CFN) and Lehrstuhl für Theoretische Chemie, Institut für Physikalische Chemie, Universität Karlsruhe (TH), Karlsruhe, Germany
Phys. Chem. Chem. Phys., 2008,10, 1748-1756

DOI: 10.1039/B717719D
Received 15 Nov 2007, Accepted 08 Jan 2008
First published online 14 Feb 2008
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