One-electron spectra and susceptibilities of 3D electron gas from self-consistent solutions of Hedin's equations

Abstract

A few approximate schemes to solve the Hedin equations self-consistently introduced in (Phys. Rev. B 94, 155101 (2016)) are explored and tested for the 3D electron gas at metallic densities. We calculate one electron spectra, dielectric properties, compressibility, and correlation energy. Considerable reduction in the calculated band width (as compared to the self consistent GW result) has been found when vertex correction was used for both polarizability and self energy. Generally, it is advantageous to obtain the diagrammatic representation of polarizability from the definition of this quantity as a functional derivative of the electronic density with respect to the total field (external plus induced). For self energy, the first order vertex correction seems to be sufficient for the range of densities considered. Whenever it is possible, we compare the accuracy of our vertex-corrected schemes with the accuracy of the self-consistent quasi-particle GW approximation (QSGW), which is less expensive computationally. We show that QSGW approach performs poorly and we relate this poor performance with an inaccurate description of the screening in the QSGW method (with an error comprising a factor 2-3 in the physically important range of momenta).

8 pages, 10 figures

References in corpus (8)

• Quasiparticle self-consistent $GW$ method; a basis for the independent-particle approximation
• Diagrammatic expansion for positive spectral functions beyond GW: Application to vertex corrections in the electron gas
• Quantum Monte Carlo study of the ground state of the two-dimensional Fermi fluid
• Diagrammatic expansion for positive density-response spectra: Application to the electron gas
• Vertex corrections for positive-definite spectral functions of simple metals
• The GW plus cumulant method and plasmonic polarons: application to the homogeneous electron gas
• Diffusion quantum Monte Carlo calculation of the quasiparticle effective mass of the two-dimensional homogeneous electron gas
• Description of quasiparticle and satellite properties via cumulant expansions of the retarded one-particle Green's function

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