Cumulant expansion of the retarded one-electron Green function

J. Kas; John J. Rehr; Lucia Reining

doi:10.1103/PhysRevB.90.085112

Cumulant expansion of the retarded one-electron Green function

J. Kas ¹ John J. Rehr ^{2, 1} Lucia Reining ^{2, 3}

1 Department of Physics, University of Washington

2 ETSF - European Theoretical Spectroscopy Facility

3 LSI - UMR 7642 - Laboratoire des Solides Irradiés

Abstract : The cumulant expansion is a powerful approach for including correlation effects in electronic structure calculations beyond the GW approximation. However, the expansion is not generally valid, as current implementations ignore terms that mix particle and hole states and lead to partial occupation numbers of one-electron states. These limitations are corrected here using a cumulant expansion of the retarded one-electron Green’s function that includes both particle and hole contributions. The approach provides a consistent framework that improves on the GW approximation to the spectral function without additional computational effort. The method is illustrated with results for the homogeneous electron gas and comparisons to experiment and other methods.

Type de document :

Article dans une revue

Physical Review B : Condensed matter and materials physics, American Physical Society, 2014, 90, pp.085112. 〈10.1103/PhysRevB.90.085112〉

Domaine :

Physique [physics] / Matière Condensée [cond-mat]

Liste complète des métadonnées

https://hal-polytechnique.archives-ouvertes.fr/hal-01113971
Contributeur : Gaëlle Bruant <>
Soumis le : vendredi 6 février 2015 - 16:40:55
Dernière modification le : jeudi 10 mai 2018 - 02:00:36

Cumulant expansion of the retarded one-electron Green function

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Cumulant expansion of the retarded one-electron Green function

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