CHARACTERIZATION OF SHAPE AND AUGER RESONANCES USING THE DILATED ONE-ELECTRON PROPAGATOR METHOD

Some representative results from applications of the second order, dia gonal 2ph-TDA and quasi-particle decouplings of the biorthogonal dilat ed electron propagator based on a complex scaled bivariational SCF to the investigation of P-2 Mg-, (B2gC2H4-)-B-2 Shape and S-2 (1S(-1)) Be + Auger resonances are presented. These results demonstrate the effect iveness of the dilated electron propagator in calculation of energies and widths as also in unravelling of the mechanistic details of resona nce formation and decay. The Feynman-Dyson amplitudes are shown to eff ectively isolate the LUMO as the resonant orbital.