Altered fig1b. Added comment about EPs converging on real axis.

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Hugh Burton 2020-12-07 11:59:18 +00:00
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4 changed files with 1215 additions and 81 deletions

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@ -6,7 +6,7 @@
%Control: page (0) single %Control: page (0) single
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@ -50,15 +50,6 @@
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@ -1441,9 +1432,9 @@
{G.~Rauhut}}\ and\ \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont {G.~Rauhut}}\ and\ \bibinfo {author} {\bibfnamefont {H.-J.}\ \bibnamefont
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@ -297,8 +297,9 @@ unless otherwise stated, atomic units will be used throughout.
\end{subfigure} \end{subfigure}
\caption{% \caption{%
Exact energies for the Hubbard dimer ($U=4t$) as functions of $\lambda$ on the real axis (\subref{subfig:FCI_real}) and in the complex plane (\subref{subfig:FCI_cplx}). Exact energies for the Hubbard dimer ($U=4t$) as functions of $\lambda$ on the real axis (\subref{subfig:FCI_real}) and in the complex plane (\subref{subfig:FCI_cplx}).
Only the interacting closed-shell singlets are plotted in the complex plane, becoming degenerate at the EP (black dot). Only the interacting closed-shell singlets are shown in the complex plane, becoming degenerate at the EP (black dot).
The contour followed around the EP in order to interchange states is also represented. Following a contour around the EP (black solid) interchanges the states, while a second rotation (black dashed)
returns the states to their original energies.
\label{fig:FCI}} \label{fig:FCI}}
\end{figure*} \end{figure*}
@ -357,6 +358,8 @@ These $\lambda$ values correspond to so-called EPs and connect the ground and ex
Crucially, the energy surface becomes non-analytic at $\lambda_{\text{EP}}$ and a square-root singularity forms with two branch cuts running along the imaginary axis from $\lambda_{\text{EP}}$ to $\pm \i \infty$ (see Fig.~\ref{subfig:FCI_cplx}). Crucially, the energy surface becomes non-analytic at $\lambda_{\text{EP}}$ and a square-root singularity forms with two branch cuts running along the imaginary axis from $\lambda_{\text{EP}}$ to $\pm \i \infty$ (see Fig.~\ref{subfig:FCI_cplx}).
On the real $\lambda$ axis, these EPs lead to the singlet avoided crossing at $\lambda = \Re(\lambda_{\text{EP}})$. On the real $\lambda$ axis, these EPs lead to the singlet avoided crossing at $\lambda = \Re(\lambda_{\text{EP}})$.
The ``shape'' of this avoided crossing is related to the magnitude of $\Im(\lambda_{\text{EP}})$, with smaller values giving a ``sharper'' interaction. The ``shape'' of this avoided crossing is related to the magnitude of $\Im(\lambda_{\text{EP}})$, with smaller values giving a ``sharper'' interaction.
\hugh{In the limit $U/t \to 0$, the two EPs converge at $\lep \to 0$ to create a conical intersection with
a gradient discontinuity on the real axis.}
Remarkably, the existence of these square-root singularities means that following a complex contour around an EP in the complex $\lambda$ plane will interconvert the closed-shell ground and excited states (see Fig.~\ref{subfig:FCI_cplx}). Remarkably, the existence of these square-root singularities means that following a complex contour around an EP in the complex $\lambda$ plane will interconvert the closed-shell ground and excited states (see Fig.~\ref{subfig:FCI_cplx}).
This behaviour can be seen by expanding the radicand in Eq.~\eqref{eq:singletE} as a Taylor series around $\lambda_{\text{EP}}$ to give This behaviour can be seen by expanding the radicand in Eq.~\eqref{eq:singletE} as a Taylor series around $\lambda_{\text{EP}}$ to give
@ -1174,16 +1177,21 @@ divergences caused by the MP critical point.
When a Hamiltonian is parametrised by a variable such as $\lambda$, the existence of abrupt changes in the When a Hamiltonian is parametrised by a variable such as $\lambda$, the existence of abrupt changes in the
eigenstates as a function of $\lambda$ indicate the presence of a zero-temperature quantum phase transition (QPT).% eigenstates as a function of $\lambda$ indicate the presence of a zero-temperature quantum phase transition (QPT).%
\cite{Heiss_1988,Heiss_2002,Borisov_2015,Sindelka_2017,CarrBook,Vojta_2003,SachdevBook,GilmoreBook} \cite{Heiss_1988,Heiss_2002,Borisov_2015,Sindelka_2017,CarrBook,Vojta_2003,SachdevBook,GilmoreBook}
Meanwhile, as an avoided crossing becomes increasingly sharp, the corresponding EPs move increasingly close to the real axis, eventually forming a critical point. Meanwhile, as an avoided crossing becomes increasingly sharp, the corresponding EPs move increasingly close to the real axis.
\hugh{The existence of an EP \emph{on} the real axis is therefore diagnostic of a QPT.\cite{Cejnar_2005, Cejnar_2007a}} \hugh{When these points converge on the real axis, they effectively ``annihilate'' each other and no longer behave as EPs.
Instead, they form a ``critical point'' singularity that resembles a conical intersection, and
the convergence of a pair of complex-conjugate EPs on the real axis is therefore diagnostic of a QPT.\cite{Cejnar_2005, Cejnar_2007a}}
Since the MP critical point corresponds to a singularity on the real $\lambda$ axis, it can immediately be Since the MP critical point corresponds to a singularity on the real $\lambda$ axis, it can immediately be
recognised as a QPT with respect to varying the perturbation parameter $\lambda$. recognised as a QPT with respect to varying the perturbation parameter $\lambda$.
However, a conventional QPT can only occur in the thermodynamic limit, which here is analogous to the complete However, a conventional QPT can only occur in the thermodynamic limit, which here is analogous to the complete
basis set limit.\cite{Kais_2006} basis set limit.\cite{Kais_2006}
The MP critical point and corresponding $\beta$ singularities in a finite basis must therefore be modelled by pairs of EPs The MP critical point and corresponding $\beta$ singularities in a finite basis must therefore be modelled by pairs of
that tend towards the real axis, exactly as described by Sergeev \etal\cite{Sergeev_2005} complex-conjugate EPs that tend towards the real axis, exactly as described by Sergeev \etal\cite{Sergeev_2005}
In contrast, $\alpha$ singularities correspond to large avoided crossings that are indicative of low-lying excited In contrast, $\alpha$ singularities correspond to large avoided crossings that are indicative of low-lying excited
states which share the symmetry of the ground state,\cite{Goodson_2004} and are thus not manifestations of a QPT. states which share the symmetry of the ground state,\cite{Goodson_2004} and are thus not manifestations of a QPT.
\hugh{Notably, since the exact MP critical point corresponds to the interaction between a bound state
and the continuum, its functional form is more complicated than a conical intersection and remains an open question.}
%======================================= %=======================================
\subsection{Critical Points in the Hubbard Dimer} \subsection{Critical Points in the Hubbard Dimer}

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