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Spin in density‐functional theory |
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| Authors: | Christoph R. Jacob Markus Reiher |
| Affiliation: | 1. Karlsruhe Institute of Technology (KIT), Center for Functional Nanostructures, Wolfgang‐Gaede‐Stra?e 1a, 76131 Karlsruhe, Germany;2. ETH Zurich, Laboratorium für Physikalische Chemie, Wolfgang‐Pauli‐Strasse 10, 8093 Zurich, Switzerland |
| Abstract: | |
| Keywords: | relativistic quantum chemistry magnetic interactions spin density functional theory open‐shell transition metal chemistry |