On the performance of DFT/MRCI-R and MR-MP2 in spin–orbit...

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On the performance of DFT/MRCI-R and MR-MP2 in spin–orbit coupling calculations on diatomics and polyatomic organic molecules

Jovanović, Vladimir, Lyskov, Igor, Kleinschmidt, Martin, Marian, Christel M.
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Language:
english
Journal:
Molecular Physics
DOI:
10.1080/00268976.2016.1201600
Date:
June, 2016
File:
PDF, 1.09 MB
english, 2016
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