From 7a48ce2fb9c12378e88c7ebbed7dc3042d5d2810 Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Sat, 2 Mar 2019 20:38:03 +0100 Subject: [PATCH] Data --- Manuscript/CI-F12.tex | 24 ++++++++++++------------ 1 file changed, 12 insertions(+), 12 deletions(-) diff --git a/Manuscript/CI-F12.tex b/Manuscript/CI-F12.tex index d5abaac..f4b0dc9 100644 --- a/Manuscript/CI-F12.tex +++ b/Manuscript/CI-F12.tex @@ -295,47 +295,47 @@ The corresponding cc-pVXZ\_OPTRI auxiliary basis is used as CABS.} \hline \ce{Li} & D & & & -7.466\,025 (FCI) \\ (cc-pCV$N$Z) & T & & & -7.474\,251 (FCI) \\ - & Q & & & -7.476\,373 (CIPSI) \\ + & Q & & & -7.476\,373 (FCI) \\ & $\infty$ & & & -7.478\,060 \footnotemark[3] \\ \hline \ce{Be} & D & & & -14.651\,833 (FCI) \\ - (cc-pCV$N$Z) & T & & & -14.662\,369 (CIPSI) \\ + (cc-pCV$N$Z) & T & & & -14.662\,368 (FCI) \\ & Q & & & -14.665\,566 (CIPSI) \\ & $\infty$ & & & -14.667\,356 \footnotemark[4] \\ & $\infty$ & & & -14.667\,39 (TOTO) \\ \hline - \ce{B} & D & & & -24.619\,099 (CIPSI) \\ + \ce{B} & D & & & -24.619\,101 (FCI) \\ (cc-pwCV$N$Z) & T & & & -24.643\,222 (CIPSI) \\ & Q & & & -24.650\,331 (CIPSI) \\ & 5 & & & -24.652\,309 (CIPSI) \\ & $\infty$ & & & -24.653\,866 \footnotemark[5] \\ & $\infty$ & & & -24.653\,90 (TOTO) \\ \hline - \ce{C} & D & & & -37.792\,466 (CIPSI) \\ + \ce{C} & D & & & -37.792\,469 (FCI) \\ (cc-pwCV$N$Z) & T & & & -37.829\,847 (CIPSI) \\ & Q & & & -37.839\,816 (CIPSI) \\ & 5 & & & -37.842\,731 (CIPSI) \\ & $\infty$ & & & -37.840\,129 6 \\ & $\infty$ & & & -37.845\,0 (TOTO) \\ \hline - \ce{N} & D & & & \\ + \ce{N} & D & & & -54.517\,650 (FCI) \\ (cc-pwCV$N$Z) & T & & & \\ & Q & & & \\ - & 5 & & & \\ + & 5 & & & -54.585\,926 (CIPSI) \\ & $\infty$ & & & -54.588\,917 \footnotemark[7] \\ & $\infty$ & & & -54.589\,3 (TOTO) \\ \hline \ce{O} & D & & & \\ (cc-pwCV$N$Z) & T & & & \\ - & Q & & & \\ - & 5 & & & \\ + & Q & & & -75.054\,737 (CIPSI) \\ + & 5 & & & -75.062\,002 (CIPSI) \\ & $\infty$ & & & -75.066\,892 \footnotemark[7] \\ & $\infty$ & & & -75.067\,4 (TOTO) \\ \hline - \ce{F} & D & & & \\ - (cc-pwCV$N$Z) & T & & & \\ - & Q & & & \\ - & 5 & & & \\ + \ce{F} & D & & & -99.566\,902 (CIPSI) \\ + (cc-pwCV$N$Z) & T & & & -99.682\,616 (CIPSI) \\ + & Q & & & -99.715\,563 (CIPSI) \\ + & 5 & & & -99.726\,249 (CIPSI) \\ & $\infty$ & & & -99.733\,424 \footnotemark[7] \\ & $\infty$ & & & -99.734\,1 (TOTO) \\ \hline