indium_5s = SlaterOrbital( principal_quantum_number=5, angular_momentum=0, slater_coefficients=[ 2.11757*1/Bohr ], weights=[ 0.59101 ] ) indium_5p = SlaterOrbital( principal_quantum_number=5, angular_momentum=1, slater_coefficients=[ 1.84269*1/Bohr ], weights=[ 0.71392 ] ) indium_5d = SlaterOrbital( principal_quantum_number=5, angular_momentum=2, slater_coefficients=[ 1.02658*1/Bohr ], weights=[ 0.61732 ] ) IndiumBasis = HuckelBasisParameters( element=PeriodicTable.Indium, orbitals=[ indium_5s , indium_5p , indium_5d ], occupations=[ 0.333333333333 , 1.0 , 1.66666666667 ], ionization_potential=[ -13.93711*eV , -8.22964*eV , -3.54891*eV ], onsite_hartree_shift=[ 5.53*eV , 5.53*eV , 5.53*eV ], onsite_spin_split=[[-0.3635, -0.2504, -0.2504], [-0.2504, -0.2102, -0.2102], [-0.2504, -0.2102, -0.2102]]*eV, wolfsberg_helmholtz_constant=2.3, vacuum_level=-5.904437*eV, )