Electronic Structure: AOs

AO levels

These AOs have been calculated for the Krypton atom, at the HF level of theory, using a cc-pv5z basis set.
The default is a low resolution in order to save time. It could be wise to increase it for in-plane projections and for the first shells.

More informations about atomic orbitals on wikipedia

Do you want to plot radial functions or spherical harmonics... and to improve Python skills at the same time? Take a look at the Hydrogen Atom notebook of the PytChem website logo PytChem