scemama/CI-F12
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Anthony Scemama 2019-03-02 20:38:03 +01:00
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Manuscript/CI-F12.tex
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@ -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