lithium_2s = SlaterOrbital( principal_quantum_number=2, angular_momentum=0, slater_coefficients=[ 0.645*1/Bohr ], weights=[ 1.0 ] ) lithium_2p = SlaterOrbital( principal_quantum_number=2, angular_momentum=1, slater_coefficients=[ 0.524*1/Bohr ], weights=[ 1.0 ] ) LithiumBasis = HuckelBasisParameters( element=PeriodicTable.Lithium, orbitals=[ lithium_2s , lithium_2p ], occupations=[ 0.25 , 0.75 ], ionization_potential=[ -5.342*eV , -3.499*eV ], onsite_hartree_shift=[ 3.469*eV , 3.469*eV ], onsite_spin_split=[[-0.5112, -0.34985], [-0.34985, -0.3186]]*eV, wolfsberg_helmholtz_constant=1.75, vacuum_level=0.0*eV, )