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Multichannel Dyson Equation: Coupling Many-Body Green's Functions.

Gabriele Riva1, Pina Romaniello2, J Arjan Berger1

  • 1Laboratoire de Chimie et Physique Quantiques, Université de Toulouse, UPS, CNRS, and European Theoretical Spectroscopy Facility (ETSF), 118 route de Narbonne, F-31062 Toulouse, France.

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This summary is machine-generated.

We introduce a novel multichannel Dyson equation for electronic structure. This method accurately describes quasiparticles and satellites in materials, simplifying calculations by avoiding frequency convolutions and self-consistency.

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Area of Science:

  • Condensed Matter Physics
  • Quantum Chemistry
  • Materials Science

Background:

  • Accurate modeling of electronic structure is crucial for understanding material properties.
  • Traditional methods often struggle to simultaneously describe quasiparticles and satellite features in photoemission spectra.
  • Many-body Green's functions are essential for capturing complex electronic correlations.

Purpose of the Study:

  • To present a new theoretical framework, the multichannel Dyson equation, for electronic structure calculations.
  • To model photoemission spectra by combining different orders of Green's functions.
  • To develop a simplified yet physically rich self-energy approach.

Main Methods:

  • Development of the multichannel Dyson equation combining multiple Green's functions.
  • Application to photoemission spectra using one-body and three-body Green's functions.
  • Proposal of a static multichannel self-energy with bare Coulomb interaction.

Main Results:

  • The method successfully treats quasiparticles and satellites on equal footing.
  • The proposed self-energy eliminates the need for frequency convolutions and self-consistency.
  • Diagrammatic analysis reveals the rich physics captured by the simplified self-energy.
  • Exact results were obtained for the Hubbard dimer at 1/4 and 1/2 filling.

Conclusions:

  • The multichannel Dyson equation offers a powerful and simplified approach to electronic structure.
  • This framework provides a unified description of electronic excitations.
  • The method is exact for specific model systems and offers broad applicability.