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changing notation for n_2

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Pierre-Francois Loos 2020-08-17 22:44:06 +02:00
parent b22dcbede2
commit 225b688696
1 changed files with 4 additions and 4 deletions
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Manuscript/rsdft-cipsi-qmc.tex
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@ -662,13 +662,13 @@ an impact on the CI coefficients similar to the Jastrow factor.
%%% TABLE II %%%
\begin{table}
\caption{\ce{H2O}, double-zeta basis set. Integrated on-top pair density $\expval{ n_2(\br,\br) }$
\caption{\ce{H2O}, double-zeta basis set. Integrated on-top pair density $\expval{ P }$
for $\Psi^J$ and $\Psi^\mu$ with different values of $\mu$.
\titou{Please remove table and merge data in the Fig. 5.}}
\label{tab:table_on_top}
\begin{ruledtabular}
\begin{tabular}{cc}
$\mu$ & $\expval{ n_2(\br,\br) }$ \\
$\mu$ & $\expval{ P }$ \\
\hline
0.00 & 1.443 \\
0.25 & 1.438 \\
@ -711,9 +711,9 @@ an impact on the CI coefficients similar to the Jastrow factor.
In order to refine the comparison between $\Psi^\mu$ and $\Psi^J$, we
report several quantities related to the one- and two-body densities of
$\Psi^J$ and $\Psi^\mu$ with different values of $\mu$. First, we
report in Table~\ref{table_on_top} the integrated on-top pair density
report in Table~\ref{tab:table_on_top} the integrated on-top pair density
\begin{equation}
\expval{ n_2(\br,\br) } = \int d\br \,\,n_2(\br,\br)
\expval{ P } = \int d\br \,\,n_2(\br,\br)
\end{equation}
where $n_2(\br_1,\br_2)$ is the two-body density [normalized to $\Nelec(\Nelec-1)$]
obtained for both $\Psi^\mu$ and $\Psi^J$.