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Keywords:

  • electron scattering;
  • shape resonance;
  • Auger resonance;
  • electron propagator;
  • complex scaling;
  • bivariational SCF

Abstract

An overview of the dilated electron propagator method based on operators defined on biorthogonal orbitals from bivariationally obtained complex scaled SCF procedure is presented and discussed. Results from applications to atomic and molecular electron attachment and detachment resonances using different decouplings of the dilated electron propagator are analyzed to adduce the role of correlation and relaxation effects in the formation and decay of shape and Auger resonances. Feynman–Dyson amplitudes of the dilated electron propagator are examined to try and unravel the mechanistic underpinnings of these resonances. © 2002 Wiley Periodicals, Inc. Int J Quantum Chem, 2002