saving work on RMP pade

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Pierre-Francois Loos 2020-11-26 13:43:29 +01:00
parent 73ba4a3201
commit 0ef9ed1f41
3 changed files with 42 additions and 15 deletions

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@ -1250,7 +1250,33 @@ More specifically, a $[d_A/d_B]$ Pad\'e approximant is defined as
(with $b_0 = 1$), where the coefficients of the polynomials $A(\lambda)$ and $B(\lambda)$ are determined by collecting terms according to power of $\lambda$.
Pad\'e approximants are extremely useful in many areas of physics and chemistry \cite{Loos_2013,Pavlyukh_2017,Tarantino_2019,Gluzman_2020} as they can model poles, which appears at the roots of the polynomial $B(\lambda)$.
However, they are unable to model functions with square-root branch points, which are ubiquitous in the singularity structure of a typical perturbative treatment.
Figure \ref{fig:PadeRMP} illustrates the improvement brought by diagonal (\ie, $d_A = d_B$) Pad\'e approximants as compared to the usual Taylor expansion in the case of the RMP series of the Hubbard dimer for $U/t = 4.5$.
Figure \ref{fig:PadeRMP} illustrates the improvement brought by diagonal (\ie, $d_A = d_B$) Pad\'e approximants as compared to the usual Taylor expansion in cases where the RMP series of the Hubbard dimer converges ($U/t = 3.5$) and diverges ($U/t = 4.5$).
\begin{table}
\caption{RMP ground-state energy estimate at $\lambda = 1$ provided by various Taylor expansions and Pad\'e approximants at $U/t = 3.5$ and $4.5$.
We also report the estimate of the radius of convergence $r_c$ provided by the diagonal Pad\'e approximants.
\label{tab:PadeRMP}}
\begin{ruledtabular}
\begin{tabular}{lccccc}
& & \mc{2}{c}{$r_c$} & \mc{2}{c}{$E_{-}(\lambda = 1)$} \\
\cline{3-4} \cline{5-6}
Method & degree & $U/t = 3.5$ & $U/t = 4.5$ & $U/t = 3.5$ & $U/t = 4.5$ \\
\hline
Taylor & 2 & & & $-1.01563$ & $-1.01563$ \\
& 3 & & & $-1.01563$ & $-1.01563$ \\
& 4 & & & $-0.86908$ & $-0.61517$ \\
& 5 & & & $-0.86908$ & $-0.61517$ \\
& 6 & & & $-0.92518$ & $-0.86858$ \\
Pad\'e & [1/1] & $2.29$ & $1.78$ & $-1.61111$ & $-2.64286$ \\
& [2/2] & $2.29$ & $1.78$ & $-0.82124$ & $-0.48446$ \\
& [3/3] & $1.73$ & $1.34$ & $-0.91995$ & $-0.81929$ \\
& [4/4] & $1.47$ & $1.14$ & $-0.90579$ & $-0.74866$ \\
& [5/5] & $1.35$ & $1.05$ & $-0.90778$ & $-0.76277$ \\
\hline
Exact & & $1.14$ & $0.89$ & $-0.90754$ & $-0.76040$ \\
\end{tabular}
\end{ruledtabular}
\end{table}
%%%%%%%%%%%%%%%%%
\begin{figure*}
@ -1306,23 +1332,24 @@ However, by ramping up high enough the degree of the polynomials, one is able to
%%%%%%%%%%%%%%%%%
\begin{table}
\caption{Radius of convergence $r_c$ for various resummation techniques at $U/t = 3$ and $7$.
The truncation degree of the Taylor expansion $n$ of $E(\lambda)$ and the number of branch points $n_\text{bp} = \max(2d_p,d_q+d_r)$ generated by the quadratic approximant are also reported.
\caption{Estimate of the radius of convergence $r_c$ of the UMP energy function provided by various resummation techniques at $U/t = 3$ and $7$.
The truncation degree of the Taylor expansion $n$ of $E(\lambda)$ and the number of branch points $n_\text{bp} = \max(2d_p,d_q+d_r)$ generated by the quadratic approximants are also reported.
\label{tab:QuadUMP}}
\begin{ruledtabular}
\begin{tabular}{llcccc}
& & & & \mc{2}{c}{$r_c$} \\
\cline{5-6}
\mc{2}{c}{Method} & $n$ & $n_\text{bp}$ & $U/t = 3$ & $U/t = 7$ \\
\begin{tabular}{lccccccc}
& & & & \mc{2}{c}{$r_c$} & \mc{2}{c}{$E_{-}(\lambda)$} \\
\cline{5-6}\cline{7-8}
\mc{2}{c}{Method} & $n$ & $n_\text{bp}$ & $U/t = 3$ & $U/t = 7$ & $U/t = 3$ & $U/t = 7$ \\
\hline
Pad\'e & [2/2] & 4 & & 0.97448 & 1.00030 \\
& [3/3] & 6 & & 1.14138 & 1.00448 \\
Quadratic & [2/1,2] & 6 & 4 & 1.08640 & 1.00310 \\
& [2/2,2] & 7 & 4 & 1.08193 & 1.00310 \\
& [3/2,2] & 8 & 6 & 1.08247 & 1.00106 \\
& [3/2,3] & 9 & 6 & 1.07069 & 1.00239 \\
& [3/3,3] & 10 & 6 & 1.07064 & 1.00239 \\
Exact & & & & 1.06917 & 1.00239\\
Pad\'e & [2/2] & 4 & & 0.974 & 1.000 \\
& [3/3] & 6 & & 1.141 & 1.004 \\
& [4/4] & 8 & & 1.068 & 1.003 \\
Quadratic & [2/1,2] & 6 & 4 & 1.086 & 1.003 \\
& [2/2,2] & 7 & 4 & 1.082 & 1.003 \\
& [3/2,2] & 8 & 6 & 1.082 & 1.001 \\
& [3/2,3] & 9 & 6 & 1.071 & 1.002 \\
& [3/3,3] & 10 & 6 & 1.071 & 1.002 \\
Exact & & & & 1.069 & 1.002 \\
\end{tabular}
\end{ruledtabular}
\end{table}

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