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, StefanVolume:
117
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp406658y
Date:
September, 2013
File:
PDF, 998 KB
english, 2013