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resolving conflict

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Pierre-Francois Loos 2023-03-10 11:44:35 +01:00
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Manuscript/SRGGW.tex
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@ -927,7 +927,7 @@ Additionally, we demonstrate how SRG-$GW$ can effectively resolve the discontinu
This provides a first-principles justification for the SRG-inspired regularizer proposed in Ref.~\onlinecite{Monino_2022}.
We first study the flow parameter dependence of the SRG-qs$GW$ IPs for a few test cases.
The results show that the IPs gradually evolve from the HF starting point at $s=0$ to a plateau value for $s\to\infty$ that is much closer to the CCSD(T) reference than the HF initial value.
The results show that the IPs gradually evolve from the HF starting point at $s=0$ to a plateau value for $s\to\infty$ that is much closer to the $\Delta$CCSD(T) reference than the HF initial value.
For small values of the flow parameter, the SRG-qs$GW$ IPs are actually worse than their starting point.
Therefore, it is advisable to use the largest possible value of $s$, similar to qs$GW$ calculations where one needs to use the smallest possible $\eta$ value.