The spectral function of the closed-shell neon atom is computed by expanding the electron self-energy through a set of Faddeev equations. This method describes the coupling of single-particle degrees of freedom with correlated two-electron, two-hole, and electron-hole pairs. The excitation spectra are obtained using the random-phase approximation (RPA), rather than the Tamm-Dancoff framework employed in the third-order algebraic diagrammatic construction method. The difference between these two approaches is studied, as well as the interplay between ladder and ring diagrams in the self-energy. Satisfactory results are obtained for the ionization energies as well as the energy of the ground state with the Faddeev RPA scheme, which is also appropriate for the high-density electron gas.

Quasiparticles in neon using the Faddeev random-phase approximation / C. Barbieri, D. Van Neck, W.H. Dickhoff. - In: PHYSICAL REVIEW A. - ISSN 1050-2947. - 76:5(2007), pp. 052503.1-052503.12.

Quasiparticles in neon using the Faddeev random-phase approximation

C. Barbieri;
2007

Abstract

The spectral function of the closed-shell neon atom is computed by expanding the electron self-energy through a set of Faddeev equations. This method describes the coupling of single-particle degrees of freedom with correlated two-electron, two-hole, and electron-hole pairs. The excitation spectra are obtained using the random-phase approximation (RPA), rather than the Tamm-Dancoff framework employed in the third-order algebraic diagrammatic construction method. The difference between these two approaches is studied, as well as the interplay between ladder and ring diagrams in the self-energy. Satisfactory results are obtained for the ionization energies as well as the energy of the ground state with the Faddeev RPA scheme, which is also appropriate for the high-density electron gas.
correlated molecular calculations; self-consistent solution; gaussian-basis sets; electron-gas; greens-function; spurious solutions; dysons equation; gw calculations; atomic systems; 2nd-order
Settore FIS/02 - Fisica Teorica, Modelli e Metodi Matematici
2007
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/722882
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