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Efficient Calculation of Magnetic Circular Dichroism Spectra Using Spin-Noncollinear Linear-Response Time-Dependent

Ansgar Pausch1, Christof Holzer2, Wim Klopper1,3

  • 1Institute of Physical Chemistry, Karlsruhe Institute of Technology (KIT), Fritz-Haber-Weg 2, 76131 Karlsruhe, Germany.

Journal of Chemical Theory and Computation
|May 16, 2022
PubMed

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