Ab-initio EPR spectroscopy
Davide Ceresoli
Recorded 30 July 2009 in Lausanne, Vaud, Switzerland
Abstract
Introduction to EPR spectroscopy. The spin hamiltonian. Calculation of EPR parameters: g-tensor and hyperfine couplings. Examples. Converse approach to NMR and EPR spectroscopy. How to run the code, generation of GIPAW pseudopotentials, how to analyze the output.
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