gallium_4s = SlaterOrbital( principal_quantum_number=4, angular_momentum=0, slater_coefficients=[ 2.03484*1/Bohr ], weights=[ 0.67038 ] ) gallium_4p = SlaterOrbital( principal_quantum_number=4, angular_momentum=1, slater_coefficients=[ 1.63083*1/Bohr ], weights=[ 0.71632 ] ) gallium_4d = SlaterOrbital( principal_quantum_number=4, angular_momentum=2, slater_coefficients=[ 0.90717*1/Bohr ], weights=[ 0.89901 ] ) GalliumBasis = HuckelBasisParameters( element=PeriodicTable.Gallium, orbitals=[ gallium_4s , gallium_4p , gallium_4d ], occupations=[ 0.333333333333 , 1.0 , 1.66666666667 ], ionization_potential=[ -14.5101*eV , -8.56214*eV , -3.16883*eV ], onsite_hartree_shift=[ 5.935*eV , 5.935*eV , 5.935*eV ], onsite_spin_split=[[-0.6593, -0.40895000000000004, -0.40895000000000004], [-0.40895000000000004, -0.3217, -0.3217], [-0.40895000000000004, -0.3217, -0.3217]]*eV, wolfsberg_helmholtz_constant=2.3, vacuum_level=-5.6833707*eV, )