-- the Coulomb interaction of the electrons of Ne on its own Dirac-Fock orbitals
G, F, x, Atom = CalculateAtomicBasisFunctions(10)
ind, NF = CreateAtomicIndicesList(Atom.Labels, {{"Kappas", true}})

U = NewOperator("AU", NF, ind, G, F)

psi = NewWavefunction(NF, 0, { {string.rep("1", NF), 1} })
print(string.format("<psi|U|psi> = %.8f Hartree, Edirect + Eexchange = %.8f Hartree", psi*U*psi, Atom.Edirect + Atom.Eexchange))