polonium_6s = SlaterOrbital( principal_quantum_number=6, angular_momentum=0, slater_coefficients=[ 2.72*1/Bohr ], weights=[ 1.0 ] ) polonium_6p = SlaterOrbital( principal_quantum_number=6, angular_momentum=1, slater_coefficients=[ 2.245*1/Bohr ], weights=[ 1.0 ] ) PoloniumBasis = HuckelBasisParameters( element=PeriodicTable.Polonium, orbitals=[ polonium_6s , polonium_6p ], occupations=[ 1.5 , 4.5 ], ionization_potential=[ -17.965*eV , -9.053*eV ], onsite_hartree_shift=[ 9.0*eV , 9.0*eV ], onsite_spin_split=[[-0.3674, -0.27454999999999996], [-0.27454999999999996, -0.2864]]*eV, wolfsberg_helmholtz_constant=1.75, vacuum_level=0.0*eV, )