Extension of the element parameter set for ultra-fast...

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Molecular Physics 2018 / 08

Extension of the element parameter set for ultra-fast excitation spectra calculation (sTDA-xTB)

Seibert, Jakob, Pisarek, Jana, Schmitz, Sarah, Bannwarth, Christoph, Grimme, Stefan
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Language:
english
Journal:
Molecular Physics
DOI:
10.1080/00268976.2018.1510141
Date:
August, 2018
File:
PDF, 3.33 MB
english, 2018
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