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\begin{document}
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\begin{document}
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\begin{letter}%
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\begin{letter}%
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{To the Editors of Journal of Physics: Condensed Matter (JPCM)}
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{To the Editors of the Journal of Physics: Condensed Matter (JPCM)}
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\opening{Dear Editors,}
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\opening{Dear Editors,}
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\justifying
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\justifying
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Following the recent invitation of Ania Wronski, please find enclosed our manuscript entitled \textit{``Perturbation Theory in the Complex Plane: Exceptional Points and Where to Find Them''}, which we would like you to consider as a Topical Review in \textit{J. Phys. Cond. Mat.}
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Following the recent invitation of Ania Wronski, please find enclosed our manuscript entitled \textit{``Perturbation Theory in the Complex Plane: Exceptional Points and Where to Find Them''}, which we would like you to consider as a Topical Review in \textit{J. Phys. Cond. Mat.}
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The present multidisciplinary review explores the non-Hermitian extension of computational quantum chemistry in the complex plane and its link with perturbation theory.
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This multidisciplinary review explores the non-Hermitian extension of computational quantum chemistry to the complex plane and its link with perturbation theory.
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In particular, we focus on its mathematical roots and its connection with physical phenomena such as quantum phase transitions and exceptional points in the complex plane.
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In particular, we focus on its mathematical roots and connections with physical phenomena such as quantum phase transitions and exceptional points in the complex plane.
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We begin by presenting the fundamental concepts behind non-Hermitian extensions of quantum chemistry into the complex plane, including the Hartree-Fock approximation and
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We begin by presenting the fundamental concepts behind non-Hermitian extensions of quantum chemistry into the complex plane, including the Hartree--Fock approximation and
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Rayleigh-Schr\"odinger perturbation theory.
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Rayleigh--Schr\"odinger perturbation theory.
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We then provide a comprehensive review of the various research that has been performed around the physics of complex singularities in perturbation theory, with a particular focus on M{\o}ller?Plesset theory.
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We then provide a comprehensive review of the various research that has been performed around the physics of complex singularities in perturbation theory, with a particular focus on M{\o}ller--Plesset theory.
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Finally, several resummation techniques that can be used to improve energy estimates for both convergent and divergent series (including Pad\'e and quadratic approximants) are discussed.
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Finally, several resummation techniques are discussedthat can improve energy estimates for both convergent and divergent series, including Pad\'e and quadratic approximants.
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Throughout this review, we present illustrative and pedagogical examples based on the ubiquitous Hubbard dimer at half-filling, reinforcing the amazing versatility of this powerful simplistic model.
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Throughout this review, we present illustrative and pedagogical examples based on the ubiquitous Hubbard dimer at half-filling, reinforcing the amazing versatility of this powerful simplistic model.
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Due to the genuine interdisciplinary nature of the present article and its pedological aspect, we believe that it will be of interest to a wide audience within the physics and chemistry communities.
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Due to the genuine interdisciplinary nature of the present article and its pedagogical aspect, we believe that it will be of interest to a wide audience within the physics and chemistry communities.
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We hope that the editors and the reviewers of JPCM will find this topical review enjoyable and educative.
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We hope that the editors and the reviewers of \textit{JPCM} will find this topical review enjoyable and educative.
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We suggest Paola Gori-Giorgi, Jeppe Olsen, So Hirata, Peter Knowles, and Kieron Burke as potential referees.
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We suggest Paola Gori-Giorgi, Jeppe Olsen, So Hirata, Peter Knowles, and Kieron Burke as potential referees.
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We look forward to hearing from you soon.
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We look forward to hearing from you soon.
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@ -920,15 +920,6 @@ The Taylor expansion of the RMP energy can then be evaluated to obtain the $k$th
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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% RADIUS OF CONVERGENCE PLOTS
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% RADIUS OF CONVERGENCE PLOTS
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\begin{figure}[htb]
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\includegraphics[width=\linewidth]{fig5}
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\caption{
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Radius of convergence $r_c$ for the RMP ground state (red), the UMP ground state (blue), and the UMP excited state (orange)
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series as functions of the ratio $U/t$.
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\label{fig:RadConv}}
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\end{figure}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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The RMP series is convergent for $U = 3.5\,t$ with $\rc > 1$, as illustrated for the individual terms at each order
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The RMP series is convergent for $U = 3.5\,t$ with $\rc > 1$, as illustrated for the individual terms at each order
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of perturbation in Fig.~\ref{subfig:RMP_cvg}.
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of perturbation in Fig.~\ref{subfig:RMP_cvg}.
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In contrast, for $U = 4.5t$ one finds $\rc < 1$, and the RMP series becomes divergent.
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In contrast, for $U = 4.5t$ one finds $\rc < 1$, and the RMP series becomes divergent.
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@ -940,6 +931,19 @@ outside this cylinder.
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In both cases, the EP connects the ground state with the doubly-excited state, and thus the convergence behaviour
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In both cases, the EP connects the ground state with the doubly-excited state, and thus the convergence behaviour
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for the two states using the ground-state RHF orbitals is identical.
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for the two states using the ground-state RHF orbitals is identical.
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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% RADIUS OF CONVERGENCE PLOTS
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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\begin{figure}[htb]
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\includegraphics[width=\linewidth]{fig5}
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\caption{
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Radius of convergence $r_c$ for the RMP ground state (red), the UMP ground state (blue), and the UMP excited state (orange)
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series as functions of the ratio $U/t$.
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\label{fig:RadConv}}
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\end{figure}
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%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
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%%% FIG 3 %%%
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%%% FIG 3 %%%
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\begin{figure*}
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\begin{figure*}
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\begin{subfigure}{0.32\textwidth}
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\begin{subfigure}{0.32\textwidth}
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@ -1244,7 +1248,7 @@ states which share the symmetry of the ground state,\cite{Goodson_2004} and are
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(\subref{subfig:rmp_cp}) Exact critical points with $t=0$ occur on the negative real $\lambda$ axis (dashed).
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(\subref{subfig:rmp_cp}) Exact critical points with $t=0$ occur on the negative real $\lambda$ axis (dashed).
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(\subref{subfig:rmp_cp_surf}) Modelling a finite basis using $t=0.1$ yields complex-conjugate EPs close to the
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(\subref{subfig:rmp_cp_surf}) Modelling a finite basis using $t=0.1$ yields complex-conjugate EPs close to the
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real axis, giving a sharp avoided crossing on the real axis (solid).
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real axis, giving a sharp avoided crossing on the real axis (solid).
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(\subref{subfig:rmp_ep_to_cp}) Convergence of the ground-state EP onto the real axis in the \trash{exact} limit $t \to 0$.
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(\subref{subfig:rmp_ep_to_cp}) Convergence of the ground-state EP onto the real axis in the limit $t \to 0$.
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\label{fig:RMP_cp}}
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\label{fig:RMP_cp}}
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\end{figure*}
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\end{figure*}
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%------------------------------------------------------------------%
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%------------------------------------------------------------------%
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