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Quasiparticle approximations and electron propagator theory

Authors

  • J. V. Ortiz

    Corresponding author
    1. Department of Chemistry, Kansas State University, 111 Willard Hall, Manhattan, Kansas 66506-3701, USA
    • Department of Chemistry, Kansas State University, 111 Willard Hall, Manhattan, Kansas 66506-3701, USA
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Abstract

A comparison of quasiparticle concepts arising from the Dyson equation of electron propagator theory and from orbital functional theory shows close relationships between self–energy expressions in the former to correlation potentials in the latter. Detailed formulae are presented for second-order theories with general occupation numbers. Limitations of the Dyson and Landau quasiparticle concepts in the context of perturbative correlation formulae are discussed. Numerical results on N2, H2O, and their valence ionization energies are presented. Comparisons are made between total energy differences, orbital energies, and transition operator results. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003

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