From 4db2c2c5a1d299bb4985f5b1abfe141526d96ead Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Thu, 21 Jan 2021 13:46:37 +0100 Subject: [PATCH] Table --- Manuscript/sfBSE-SI.tex | 86 +++++++++++++++++++++++++++++++++++++++++ 1 file changed, 86 insertions(+) diff --git a/Manuscript/sfBSE-SI.tex b/Manuscript/sfBSE-SI.tex index 19f6d18..711fc93 100644 --- a/Manuscript/sfBSE-SI.tex +++ b/Manuscript/sfBSE-SI.tex @@ -199,6 +199,92 @@ \maketitle + +\begin{table*} +\begin{ruledtabular} + \begin{tabular}{lrrrrrrrr} + &\mc{2}{c}{CIS} & \mc{2}{c}{BH\&HLYP} & \mc{2}{c}{BSE@{\GOWO}} & \mc{2}{c}{EOM-CCSD} \\ + & \mc{2}{c}{$\Delta$ E \text{(eV)}} & \mc{2}{c}{$\Delta$ E \text{(eV)}} & \mc{2}{c}{$\Delta$ E \text{(eV)}} &\mc{2}{c}{$\Delta$ E \text{(eV)}} \\ + \cline{2-3} \cline{4-5} \cline{6-7} \cline{8-9} + Distance (\AA) & $B ^1 \Sigma_u^+$& $E ^1 \Sigma_g^+$ & $B ^1 \Sigma_u^+$& $E ^1 \Sigma_g^+$ & $B ^1 \Sigma_u^+$& $E ^1 \Sigma_g^+$ & $B ^1 \Sigma_u^+$& $E ^1 \Sigma_g^+$ \\ + \hline + \\ + $0 .5$ & $15 .942$ & $17 .398$ & $15 .253$ & $16 .896$ & $15 .535$ & \ +$16 .135$ & $15 .703$ & $16 .737$ \\ +$0 .6$ & $14 .791$ & $16 .579$ & $14 .18$ & $16 .199$ & $14 .767$ & \ +$15 .073$ & $14 .61$ & $16 .056$ \\ +$0 .7$ & $13 .745$ & $15 .891$ & $13 .339$ & $15 .614$ & $14 .108$ & \ +$14 .12$ & $13 .621$ & $15 .491$ \\ +$0 .8$ & $12 .8$ & $15 .311$ & $12 .514$ & $15 .122$ & $13 .236$ & \ +$13 .591$ & $12 .735$ & $15 .017$ \\ +$0 .9$ & $11 .943$ & $14 .815$ & $11 .766$ & $14 .699$ & $12 .444$ & \ +$13 .126$ & $11 .938$ & $14 .615$ \\ +$1.$ & $11 .163$ & $14 .389$ & $11 .088$ & $14 .334$ & $11 .722$ & \ +$12 .733$ & $11 .224$ & $14 .27$ \\ +$1 .1$ & $10 .454$ & $14 .025$ & $10 .474$ & $14 .02$ & $11 .068$ & \ +$12 .41$ & $10 .587$ & $13 .962$ \\ +$1 .2$ & $9 .8096$ & $13 .712$ & $9 .919$ & $13 .75$ & $10 .477$ & \ +$12 .132$ & $10 .023$ & $13 .648$ \\ +$1 .3$ & $9 .3685$ & $13 .401$ & $9 .421$ & $13 .515$ & $9 .4696$ & \ +$12 .139$ & $9 .5306$ & $13 .201$ \\ +$1 .4$ & $9 .1278$ & $13 .262$ & $8 .9771$ & $13 .309$ & $8 .7427$ & \ +$12 .211$ & $9 .1076$ & $14 .241$ \\ +$1 .5$ & $8 .9859$ & $13 .18$ & $8 .5848$ & $13 .127$ & $8 .2988$ & \ +$12 .3$ & $8 .7525$ & $13 .814$ \\ +$1 .6$ & $8 .9106$ & $13 .125$ & $8 .2413$ & $12 .966$ & $8 .0543$ & \ +$12 .395$ & $8 .4631$ & $13 .606$ \\ +$1 .7$ & $8 .8839$ & $13 .085$ & $7 .9431$ & $12 .824$ & $7 .9457$ & \ +$12 .482$ & $8 .2361$ & $13 .475$ \\ +$1 .8$ & $8 .8936$ & $13 .058$ & $7 .6866$ & $12 .699$ & $7 .9282$ & \ +$12 .563$ & $8 .0669$ & $13 .383$ \\ +$1 .9$ & $8 .9307$ & $13 .041$ & $7 .4677$ & $12 .593$ & $7 .9697$ & \ +$12 .641$ & $7 .9505$ & $13 .317$ \\ +$2.$ & $8 .9888$ & $13 .033$ & $7 .2827$ & $12 .502$ & $8 .0486$ & \ +$12 .714$ & $7 .881$ & $13 .272$ \\ +$2 .1$ & $9 .0627$ & $13 .031$ & $7 .1279$ & $12 .421$ & $8 .1508$ & \ +$12 .783$ & $7 .8523$ & $13 .239$ \\ +$2 .2$ & $9 .1485$ & $13 .031$ & $6 .9996$ & $12 .343$ & $8 .2671$ & \ +$12 .845$ & $7 .8581$ & $13 .212$ \\ +$2 .3$ & $9 .2429$ & $13 .031$ & $6 .8947$ & $12 .265$ & $8 .3914$ & \ +$12 .901$ & $7 .8923$ & $13 .187$ \\ +$2 .4$ & $9 .3435$ & $13 .031$ & $6 .81$ & $12 .186$ & $8 .5197$ & \ +$12 .951$ & $7 .9492$ & $13 .164$ \\ +$2 .5$ & $9 .4484$ & $13 .032$ & $6 .7427$ & $12 .109$ & $8 .6495$ & \ +$12 .997$ & $8 .0239$ & $13 .145$ \\ +$2 .6$ & $9 .5561$ & $13 .037$ & $6 .6902$ & $12 .03$ & $8 .7792$ & \ +$13 .042$ & $8 .1122$ & $13 .133$ \\ +$2 .7$ & $9 .6657$ & $13 .043$ & $6 .6501$ & $11 .946$ & $8 .908$ & \ +$13 .084$ & $8 .2105$ & $13 .125$ \\ +$2 .8$ & $9 .7763$ & $13 .05$ & $6 .6205$ & $11 .851$ & $9 .0353$ & \ +$13 .123$ & $8 .3162$ & $13 .12$ \\ +$2 .9$ & $9 .8874$ & $13 .056$ & $6 .5996$ & $11 .744$ & $9 .1605$ & \ +$13 .154$ & $8 .4269$ & $13 .115$ \\ +$3.$ & $9 .9984$ & $13 .057$ & $6 .5857$ & $11 .627$ & $9 .283$ & $13 \ +.174$ & $8 .5408$ & $13 .106$ \\ +$3 .1$ & $10 .109$ & $13 .053$ & $6 .5778$ & $11 .505$ & $9 .4032$ & \ +$13 .183$ & $8 .6564$ & $13 .091$ \\ +$3 .2$ & $10 .219$ & $13 .043$ & $6 .5746$ & $11 .383$ & $9 .5211$ & \ +$13 .181$ & $8 .7726$ & $13 .069$ \\ +$3 .3$ & $10 .328$ & $13 .027$ & $6 .5754$ & $11 .266$ & $9 .6369$ & \ +$13 .169$ & $8 .8884$ & $13 .041$ \\ +$3 .4$ & $10 .435$ & $13 .006$ & $6 .5792$ & $11 .158$ & $9 .7506$ & \ +$13 .15$ & $9 .003$ & $13 .008$ \\ +$3 .5$ & $10 .541$ & $12 .983$ & $6 .5856$ & $11 .062$ & $9 .862$ & \ +$13 .126$ & $9 .1159$ & $12 .972$ \\ +$3 .6$ & $10 .645$ & $12 .958$ & $6 .5939$ & $10 .977$ & $9 .971$ & \ +$13 .1$ & $9 .2265$ & $12 .935$ \\ +$3 .7$ & $10 .748$ & $12 .933$ & $6 .6037$ & $10 .905$ & $10 .077$ & \ +$13 .073$ & $9 .3347$ & $12 .899$ \\ +$3 .8$ & $10 .848$ & $12 .908$ & $6 .6145$ & $10 .846$ & $10 .181$ & \ +$13 .047$ & $9 .4401$ & $12 .863$ \\ +$3 .9$ & $10 .947$ & $12 .884$ & $6 .626$ & $10 .798$ & $10 .282$ & \ +$13 .023$ & $9 .5424$ & $12 .83$ \\ +$4.$ & $11 .043$ & $12 .861$ & $6 .6381$ & $10 .761$ & $10 .38$ & \ +$13.$ & $9 .6415$ & $12 .8$ \\ + \end{tabular} +\end{ruledtabular} +\end{table*} + %%% FIG 2 %%% \begin{figure} \includegraphics[width=\linewidth]{H2_B3LYP}