ok up to IVC
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@ -289,7 +289,7 @@ This transformation can be performed continuously via a unitary matrix $\bU(s)$,
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\bH(s) = \bU(s) \, \bH \, \bU^\dag(s),
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\end{equation}
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where the flow parameter $s$ controls the extent of the decoupling and is related to an energy cutoff $\Lambda=s^{-1/2}$ that avoids states with energy denominators smaller than $\Lambda$ to be decoupled from the reference space, hence avoiding potential intruders.
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By definition, we have $\bH(s=0) = \bH$ [or $\bU(s=0) = \bI$] and $\bH^\text{od}(s=\infty) = \bO$.
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By definition, the boundary conditions are $\bH(s=0) = \bH$ [or $\bU(s=0) = \bI$] and $\bH^\text{od}(s=\infty) = \bO$.
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An evolution equation for $\bH(s)$ can be easily obtained by differentiating Eq.~\eqref{eq:SRG_Ham} with respect to $s$, yielding the flow equation
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\begin{equation}
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@ -301,7 +301,7 @@ where $\boldsymbol{\eta}(s)$, the flow generator, is defined as
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\boldsymbol{\eta}(s) = \dv{\bU(s)}{s} \bU^\dag(s) = - \boldsymbol{\eta}^\dag(s).
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\end{equation}
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To solve the flow equation at a lower cost than the one associated with the diagonalization of the initial Hamiltonian, one must introduce an approximate form for $\boldsymbol{\eta}(s)$.
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\titou{To solve the flow equation at a lower cost than the one associated with the diagonalization of the initial Hamiltonian, one must introduce an approximate form for $\boldsymbol{\eta}(s)$.}
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In this work, we consider Wegner's canonical generator \cite{Wegner_1994}
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\begin{equation}
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\boldsymbol{\eta}^\text{W}(s) = \comm{\bH^\text{d}(s)}{\bH(s)} = \comm{\bH^\text{d}(s)}{\bH^\text{od}(s)},
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@ -313,7 +313,7 @@ which satisfied the following condition \cite{Kehrein_2006}
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\end{equation}
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This implies that the matrix elements of the off-diagonal part decrease in a monotonic way throughout the transformation.
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Moreover, the coupling coefficients associated with the highest-energy determinants are removed first as we shall evidence in the perturbative analysis below.
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The main drawback of this generator is that it generates a stiff set of ODE which is therefore difficult to solve numerically. \cite{Hergert_2016a}
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The main drawback of this generator is that it generates a stiff set of ODE which is therefore difficult to solve numerically.
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However, here we will not tackle the full SRG problem but only consider analytical low-order perturbative expressions.
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Hence, we will not be affected by this problem. \cite{Evangelista_2014,Hergert_2016}
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@ -328,7 +328,7 @@ For finite values of $s$, we have the following perturbation expansion of the Ha
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\label{eq:perturbation_expansionH}
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\bH(s) = \bH^{(0)}(s) + \lambda ~ \bH^{(1)}(s) + \lambda^2 \bH^{(2)}(s) + \cdots.
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\end{equation}
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Hence, the generator $\boldsymbol{\eta}(s)$ admits a similar perturbation expansion.
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The generator $\boldsymbol{\eta}(s)$ admits a similar perturbation expansion.
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Then, as performed in Sec.~\ref{sec:srggw}, one can collect order by order the terms in Eq.~\eqref{eq:flowEquation} and solve analytically the low-order differential equations.
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%%%%%%%%%%%%%%%%%%%%%%
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@ -336,7 +336,7 @@ Then, as performed in Sec.~\ref{sec:srggw}, one can collect order by order the t
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\label{sec:srggw}
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%%%%%%%%%%%%%%%%%%%%%%
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By applying the SRG to $GW$, our aim is to gradually remove the coupling between the quasiparticle and the satellites resulting in a renormalized quasiparticle equation.
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\titou{By applying the SRG to $GW$, our aim is to gradually remove the coupling between the quasiparticle and the satellites resulting in a renormalized quasiparticle equation.}
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However, to do so, one must identify the coupling terms in Eq.~\eqref{eq:quasipart_eq}, which is not straightforward.
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A way around this problem is to transform Eq.~\eqref{eq:quasipart_eq} to an equivalent upfolded form which elegantly highlights the coupling terms.
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Indeed, the $GW$ quasiparticle equation is equivalent to the diagonalization of the following matrix \cite{Bintrim_2021,Tolle_2022}
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@ -387,7 +387,7 @@ The usual $GW$ non-linear equation can be obtained by applying L\"owdin partitio
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\end{equation}
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which can be further developed to recover exactly Eq.~\eqref{eq:GW_selfenergy}.
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Equations \eqref{eq:GWlin} and \eqref{eq:quasipart_eq} yield exactly the quasiparticle and satellite energies but one is linear and the other is not.
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Equations \eqref{eq:GWlin} and \eqref{eq:quasipart_eq} yield exactly the same quasiparticle and satellite energies but one is linear and the other is not.
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The price to pay for this linearity is that the size of the matrix in the former is $\order{K^3}$ while it is only $\order{K}$ in the latter.
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We refer to Ref.~\onlinecite{Bintrim_2021} for a detailed discussion of the up/downfolding processes of the $GW$ equations (see also Refs.~\onlinecite{Tolle_2022,Scott_2023}).
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