AUTO-IONIZING STATES OF H-2 AND H2- USING THE COMPLEX-SCALING METHOD

The complex-scaling method is applied to the study of molecular resonances within the framework of the Born-Oppenheimer approximation. In this procedure only the electronic coordinates of the Born-Oppenheimer Hamiltonian are scaled, and thus only the electron-nuclear attraction integrals need be recalculated with explicit complex arguments for each value of the scaling parameter. This method is applied to the study of resonances of H2 and H2-. This represents the first successful application of a complexscaling procedure to the study of a molecular resonance. © 1979 The American Physical Society.