Geometrical Correction for the Inter- and Intramolecular...

Geometrical Correction for the Inter- and Intramolecular Basis Set Superposition Error in Periodic Density Functional Theory Calculations

Brandenburg, Jan Gerit, Alessio, Maristella, Civalleri, Bartolomeo, Peintinger, Michael F., Bredow, Thomas, Grimme, Stefan
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Volume:
117
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp406658y
Date:
September, 2013
File:
PDF, 998 KB
english, 2013
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