Please note that when using the Symmetric Gaussian Slabs model, the thickness of the first (i.e., centeral) Gaussian layer is multiplied by 2 in X+. The plotted electron density profile of X+ is incorrect. To obtain the correct profile, the witdth of the first (or central) Gaussian should be multiplied by 2.
Uri Raviv Research Group
Biomolecular Structure, Dynamics, and Interactions Lab
Institute of Chemistry, Edmond J. Safra Campus, Givat Ram
The Hebrew University of Jerusalem, 9190401, Jerusalem, Israel.
