diff --git a/Data/.DS_Store b/Data/.DS_Store index 62ddcdf..c919b33 100644 Binary files a/Data/.DS_Store and b/Data/.DS_Store differ diff --git a/Manuscript/Ex-srDFT.tex b/Manuscript/Ex-srDFT.tex index 9a8ba9a..03e6476 100644 --- a/Manuscript/Ex-srDFT.tex +++ b/Manuscript/Ex-srDFT.tex @@ -401,14 +401,14 @@ The FC density-based correction is used consistently with the FC approximation i \\ \\ Carbon dimer\fnm[1] & $1\,^{1}\Sigma_g^+ \ra 1\,^{1}\Delta_g$ & Val. & 2.06 & 0.15 & 0.03 & 0.00 - & & & - & & & - & & & + & 0.02 & -0.02 & -0.02 + & 0.13 & 0.02 & 0.00 + & 0.15 & 0.03 & 0.00 \\ & $1\,^{1}\Sigma_g^+ \ra 2\,^{1}\Sigma_g^+$ & Val. & 2.40 & 0.10 & 0.02 & 0.00 - & & & - & & & - & & & + & 0.02 & -0.03 & -0.02 + & 0.09 & 0.01 & 0.00 + & 0.11 & 0.02 & 0.00 \\ \\ Hydrogen sulfide & $1\,^{1}A_1 \ra 1\,^{1}A_2$ & Ryd. & 6.10 & 0.19 & 0.08 & 0.05 @@ -498,14 +498,14 @@ The FC density-based correction is used consistently with the FC approximation i & 0.02 & 0.00 \\ & $1\,^{1}\Sigma_{g}^{+} \ra 1\,^{3}\Delta_{u}$ & Val. & 6.40 & 0.06 & 0.00 - & 0.1 & + & 0.10 & & 0.14 & - & & + & 0.12 & \\ & $1\,^{1}\Sigma_{g}^{+} \ra 1\,^{3}\Sigma_{u}^{-}$ & Val. & 7.09 & 0.05 & -0.01 - & & - & & - & & + & & 0.00 + & & 0.04 + & & 0.04 \\ \\ Ethylene & $1\,^{1}A_{1g} \ra 1\,^{1}B_{3u}$ & Ryd. & 7.43 & -0.12 & -0.04