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A combined DFT and restricted open-shell configuration interaction method including spin-orbit coupling: Application to transition metal L-edge X-ray absorption spectroscopy
Roemelt, Michael, Maganas, Dimitrios, DeBeer, Serena, Neese, FrankVolume:
138
Year:
2013
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.4804607
File:
PDF, 2.71 MB
english, 2013