THE B-2(1) SHAPE RESONANCE IN ELECTRON-FORMALDEHYDE SCATTERING - AN INVESTIGATION USING THE DILATED ELECTRON PROPAGATOR METHOD

The zeroth order, second order, diagonal two particle one hole-Tamm Da ncoff approximation and the corresponding quasi-particle decouplings o f the dilated electron propagator have been applied to investigate the B-2(1), HCHO- shape resonance. The results from these calculations ar e in good agreement with the experimental and other theoretical result s. The resonant orbital is shown to be the > C = O pi orbital and the correlation and relaxation effects in conjunction with complex scalin g assist resonance formation by lowering the antibonding nature of the > C = O pi orbital to make it more suitable for metastable electron attachment. (C) 1998 Elsevier Science B.V. All rights reserved.