erbium_6s = SlaterOrbital( principal_quantum_number=6, angular_momentum=0, slater_coefficients=[ 1.408*1/Bohr ], weights=[ 1.0 ] ) erbium_6p = SlaterOrbital( principal_quantum_number=6, angular_momentum=1, slater_coefficients=[ 1.306*1/Bohr ], weights=[ 1.0 ] ) erbium_5d = SlaterOrbital( principal_quantum_number=5, angular_momentum=2, slater_coefficients=[ 2.199*1/Bohr ], weights=[ 1.0 ] ) erbium_4f = SlaterOrbital( principal_quantum_number=4, angular_momentum=3, slater_coefficients=[ 5.96*1/Bohr ], weights=[ 1.0 ] ) ErbiumBasis = HuckelBasisParameters( element=PeriodicTable.Erbium, orbitals=[ erbium_6s , erbium_6p , erbium_5d , erbium_4f ], occupations=[ 0.875 , 2.625 , 4.375 , 6.125 ], ionization_potential=[ -4.882*eV , -3.545*eV , -6.917*eV , -19.174*eV ], onsite_hartree_shift=[ 9.0*eV , 9.0*eV , 9.0*eV , 9.0*eV ], onsite_spin_split=[[-0.2829, -0.15128, -0.1893, -0.012725], [-0.15128, -0.3203, -0.18495, -0.002511], [-0.1893, -0.18495, -0.1854, -0.05557], [-0.012725, -0.002511, -0.05557, -0.4158]]*eV, wolfsberg_helmholtz_constant=1.75, vacuum_level=0.0*eV, )