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Calculating X-ray Absorption Spectra of Open-Shell Molecules with the Unrestricted Algebraic-Diagrammatic Construction Scheme for the Polarization Propagator
Wenzel, Jan, Wormit, Michael, Dreuw, AndreasVolume:
10
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct5006888
Date:
October, 2014
File:
PDF, 2.09 MB
english, 2014