diff --git a/JPCL_revision/G2-srDFT.tex b/JPCL_revision/G2-srDFT.tex index 38755aa..4dba780 100644 --- a/JPCL_revision/G2-srDFT.tex +++ b/JPCL_revision/G2-srDFT.tex @@ -463,7 +463,7 @@ In most cases, the basis-set corrected triple-$\zeta$ atomization energies are o \begin{figure} \includegraphics[width=0.5\linewidth]{fig2} \caption{ - $\rsmu{}{}(z)$ along the molecular axis ($z$) for \ce{N2} in various basis sets. + $\rsmu{}{\Bas}$ (top) and $\n{}{} \times \be{\text{c,md}}{\sr,\PBE}$ (bottom) along the molecular axis ($z$) for \ce{N2} in various basis sets. The two nitrogen atoms are located at $z=0$ and $z=2.076$ bohr. \label{fig:N2}} \end{figure} diff --git a/JPCL_revision/fig2.pdf b/JPCL_revision/fig2.pdf index 090ad61..72bc3d6 100644 Binary files a/JPCL_revision/fig2.pdf and b/JPCL_revision/fig2.pdf differ diff --git a/plots/N2/N2_cc-pvdz.mu_of_r b/plots/N2/N2_cc-pvdz.mu_of_r deleted file mode 100644 index 9716c73..0000000 --- a/plots/N2/N2_cc-pvdz.mu_of_r +++ /dev/null @@ -1,6901 +0,0 @@ - -2.4000000000 0.6828953232 -0.0000164146 - -2.3990000000 0.6830824240 -0.0000164952 - -2.3980000000 0.6832713823 -0.0000165762 - -2.3970000000 0.6834622016 -0.0000166574 - -2.3960000000 0.6836548852 -0.0000167390 - -2.3950000000 0.6838494363 -0.0000168208 - -2.3940000000 0.6840458584 -0.0000169029 - -2.3930000000 0.6842441546 -0.0000169853 - -2.3920000000 0.6844443284 -0.0000170680 - -2.3910000000 0.6846463829 -0.0000171510 - -2.3900000000 0.6848503213 -0.0000172343 - -2.3890000000 0.6850561471 -0.0000173179 - -2.3880000000 0.6852638633 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