europium_6s = SlaterOrbital( principal_quantum_number=6, angular_momentum=0, slater_coefficients=[ 1.345*1/Bohr ], weights=[ 1.0 ] ) europium_6p = SlaterOrbital( principal_quantum_number=6, angular_momentum=1, slater_coefficients=[ 1.231*1/Bohr ], weights=[ 1.0 ] ) europium_5d = SlaterOrbital( principal_quantum_number=5, angular_momentum=2, slater_coefficients=[ 2.14*1/Bohr ], weights=[ 1.0 ] ) europium_4f = SlaterOrbital( principal_quantum_number=4, angular_momentum=3, slater_coefficients=[ 5.165*1/Bohr ], weights=[ 1.0 ] ) EuropiumBasis = HuckelBasisParameters( element=PeriodicTable.Europium, orbitals=[ europium_6s , europium_6p , europium_5d , europium_4f ], occupations=[ 0.5625 , 1.6875 , 2.8125 , 3.9375 ], ionization_potential=[ -4.663*eV , -3.403*eV , -7.276*eV , -16.451*eV ], onsite_hartree_shift=[ 9.0*eV , 9.0*eV , 9.0*eV , 9.0*eV ], onsite_spin_split=[[-0.01707, 0.10754999999999999, -8.99999999999998e-05, -0.014167949999999999], [0.10754999999999999, -14.7, -1.3485, -0.0028209999999999997], [-8.99999999999998e-05, -1.3485, -0.2713, -0.11685000000000001], [-0.014167949999999999, -0.0028209999999999997, -0.11685000000000001, -0.4188]]*eV, wolfsberg_helmholtz_constant=1.75, vacuum_level=0.0*eV, )