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Cxw

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Pierre-Francois Loos 2020-04-09 10:50:20 +02:00
parent 7b0b1b150e
commit 6257ccc1b4
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Manuscript/Cx_H2.pdf
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Manuscript/FarDFT.tex
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@ -392,10 +392,9 @@ However, it is important to ensure that the weight-dependent functional does not
Finally, let us mention that, around $\ew{} = 0$, the behaviour of Eq.~\eqref{eq:Cxw} is linear.
\begin{figure}
\includegraphics[width=0.8\linewidth]{Cx_H2}
\includegraphics[width=\linewidth]{Cxw}
\caption{
$\Cx{\ew{}}/\Cx{\ew{}=0}$ as a function of $\ew{}$ [see Eq.~\eqref{eq:Cxw}] for the \ce{H2} molecule at equilibrium bond length and the aug-cc-pVTZ basis set.
\titou{T2: Add the same curve for He and stretch H2.}
$\Cx{\ew{}}/\Cx{\ew{}=0}$ as a function of $\ew{}$ [see Eq.~\eqref{eq:Cxw}] computed with the aug-cc-pVTZ basis set for the \ce{He} atom (blue) and the \ce{H2} molecule at $\RHH = 1.4$ bohr (red) and $\RHH = 3.7$ bohr (green).
\label{fig:Cx_H2}
}
\end{figure}