francium_7s = SlaterOrbital( principal_quantum_number=7, angular_momentum=0, slater_coefficients=[ 1.131*1/Bohr ], weights=[ 1.0 ] ) francium_7p = SlaterOrbital( principal_quantum_number=7, angular_momentum=1, slater_coefficients=[ 0.939*1/Bohr ], weights=[ 1.0 ] ) francium_6d = SlaterOrbital( principal_quantum_number=6, angular_momentum=2, slater_coefficients=[ 1.258*1/Bohr ], weights=[ 1.0 ] ) FranciumBasis = HuckelBasisParameters( element=PeriodicTable.Francium, orbitals=[ francium_7s , francium_7p , francium_6d ], occupations=[ 0.111111111111 , 0.333333333333 , 0.555555555556 ], ionization_potential=[ -3.209*eV , -2.205*eV , -1.931*eV ], onsite_hartree_shift=[ 9.0*eV , 9.0*eV , 9.0*eV ], onsite_spin_split=[[0.0, 0.0, 0.0], [0.0, 0.0, 0.0], [0.0, 0.0, 0.0]]*eV, wolfsberg_helmholtz_constant=1.75, vacuum_level=0.0*eV, )