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Treatment of shape and Auger resonances using the dilated electron propagator

Authors

  • Manoj K. Mishra,

    Corresponding author
    1. Department of Chemistry, Indian Institute of Technology, Bombay Powai, Mumbai 400 076, India
    • Department of Chemistry, Indian Institute of Technology, Bombay Powai, Mumbai 400 076, India
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  • Arun Venkatnathan

    1. Department of Chemistry, Indian Institute of Technology, Bombay Powai, Mumbai 400 076, India
    Current affiliation:
    1. Department of Chemistry and Biochemistry, University of California, Los Angeles, CA 90095-1569
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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

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