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Pierre-Francois Loos 2023-02-07 13:36:44 +01:00
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Manuscript/SRGGW.tex
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@ -78,8 +78,8 @@ The family of Green's function methods based on the $GW$ approximation has gaine
Despite this, self-consistent versions still pose challenges in terms of convergence. Despite this, self-consistent versions still pose challenges in terms of convergence.
A recent study \href{https://doi.org/10.1063/5.0089317}{[J. Chem. Phys. 156, 231101 (2022)]} has linked these convergence issues to the intruder-state problem. A recent study \href{https://doi.org/10.1063/5.0089317}{[J. Chem. Phys. 156, 231101 (2022)]} has linked these convergence issues to the intruder-state problem.
In this work, a perturbative analysis of the similarity renormalization group (SRG) approach is performed on Green's function methods. In this work, a perturbative analysis of the similarity renormalization group (SRG) approach is performed on Green's function methods.
The resulting SRG-based regularized self-energy significantly accelerates the convergence of self-consistent $GW$ methods. The SRG formalism enables us to derive, from first principles, the expression of a new, naturally Hermitian form of the static self-energy that can be employed in quasiparticle self-consistent $GW$ (qs$GW$) calculations.
Furthermore, the SRG formalism enables us to derive, from first principles, the expression of a new naturally Hermitian form of the static self-energy that can be employed in quasiparticle self-consistent $GW$ (qs$GW$) calculations. The resulting SRG-based regularized self-energy significantly accelerates the convergence of qs$GW$ calculations.
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