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Updated: Sep 7, 2025

Using Microwave and Macroscopic Samples of Dielectric Solids to Study the Photonic Properties of Disordered Photonic Bandgap Materials
Published on: September 26, 2014
Unphysical discontinuities, intruder states and regularization in GW methods
Enzo Monino1, Pierre-François Loos1
1Laboratoire de Chimie et Physique Quantiques (UMR 5626), Université de Toulouse, CNRS, UPS, Toulouse, France.
Abstract:
By recasting the non-linear frequency-dependent GW quasiparticle equation into a linear eigenvalue problem, we explain the appearance of multiple solutions and unphysical discontinuities in various physical quantities computed within the GW approximation. Considering the GW self-energy as an effective Hamiltonian, it is shown that these issues are key signatures of strong correlation in the (N ± 1)-electron states and can be directly related to the intruder state problem. A simple and efficient regularization procedure inspired by the similarity renormalization group is proposed to avoid such issues and speed up the convergence of partially self-consistent GW calculations.
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