TREATMENT OF MOLECULAR RESONANCES USING THE BIORTHOGONAL DILATED ELECTRON PROPAGATOR WITH APPLICATION TO THE (2)PI(G) SHAPE RESONANCE IN E-N-2 SCATTERING

Preliminary results from the first application of the bi-orthogonal di lated electron propagator to the treatment of molecular resonances are presented far the energy and the width of the (2) Pi(g) shape resonan ce in e-N-2 scattering. The corresponding resonant Feynman-Dyson ampli tudes (FDAs) are plotted to get a quantitative affirmation of the topo logy of the lowest unoccupied molecular orbital (LUMO) for N-2. It is shown that a plot of the resonant FDAs Offer new insights into the rol e of correlation in the formation and decay of molecular shape resonan ces. (C) 1994 John Wiley & Sons, Inc.