osmium_6s = SlaterOrbital( principal_quantum_number=6, angular_momentum=0, slater_coefficients=[ 1.804*1/Bohr ], weights=[ 1.0 ] ) osmium_6p = SlaterOrbital( principal_quantum_number=6, angular_momentum=1, slater_coefficients=[ 1.54*1/Bohr ], weights=[ 1.0 ] ) osmium_5d = SlaterOrbital( principal_quantum_number=5, angular_momentum=2, slater_coefficients=[ 3.851*1/Bohr , 1.782*1/Bohr ], weights=[ 0.75783055221 , 0.394911699371 ] ) OsmiumBasis = HuckelBasisParameters( element=PeriodicTable.Osmium, orbitals=[ osmium_6s , osmium_6p , osmium_5d ], occupations=[ 0.888888888889 , 2.66666666667 , 4.44444444444 ], ionization_potential=[ -6.556*eV , -3.958*eV , -13.737*eV ], onsite_hartree_shift=[ 9.0*eV , 9.0*eV , 9.0*eV ], onsite_spin_split=[[-0.304, -0.15765, -0.18575], [-0.15765, -0.4944, -0.057245000000000004], [-0.18575, -0.057245000000000004, -0.3405]]*eV, wolfsberg_helmholtz_constant=1.75, vacuum_level=0.0*eV, )