diff --git a/Revised_Manuscript/srDFT_SC.tex b/Revised_Manuscript/srDFT_SC.tex index be79d60..bfd2ddc 100644 --- a/Revised_Manuscript/srDFT_SC.tex +++ b/Revised_Manuscript/srDFT_SC.tex @@ -695,7 +695,7 @@ The performance of each of these functionals is tested in the following. Note th \begin{table*} {\color{red} -\caption{Integral of the on-top pair density in real space at various levels of theory (see text for details) for N$_2$ and N in the aug-cc-pVXZ basis sets (X=D,T,Q).} +\caption{System-averaged on-top pair density $\langle n_2 \rangle$, extrapolated on-top pair density $\langle \mathring{n}_{2} \rangle$, and range-separation parameter $\langle \mu \rangle$ calculated with full-valence CASSCF and CIPSI wave functions (see text for details) for N$_2$ and N in the aug-cc-pVXZ basis sets (X=D,T,Q). All quantities were computed excluding all contributions from the 1s orbitals.} \begin{ruledtabular} \begin{tabular}{lrccccccc} %\begin{tabular}{lrccccccc}