Nuclear model

Normally the nucleus is modeled as a point charge.


(Default: PointCharge) Specify what model to use for the nucleus:

NuclearModel [PointCharge | Gaussian | Uniform]

One can choose between the standard point charge model and a Gaussian model. For the Gaussian model the nuclear radius is calculated according to the work of Visscher and Dyall.[50]

The static field is explicitly handled in the determination of the orbital coefficients, energy, and gradients. If you apply it to any other property, such as the NMR shielding tensor, dielectric function, solvation energy, etc., the result is probably not entirely correct. In case of doubt contact the SCM staff.