Knowledge Bank

By using a complex, scaled Hamiltonian for an atomic or molecular system the wavefunction of a shape resonance can be made square integrable. An alternative approach involves the use of a real Hamiltonian and complex basis functions to achieve the same result. We have used the complex self-consistent field method to study the $\mathrm{<mrow\; data-mjx-texclass="ORD">2</mrow>}\sum u$ resonance in $e--H2$ scattering and have obtained the potential energy curve over a range of internuclear distances including the transition region between the resonance and the bound $H2-$ states.