CO RPA and RPAx

This commit is contained in:
Pierre-Francois Loos 2020-02-07 22:05:14 +01:00
parent 70bab90739
commit 4f57fd26f9

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@ -539,8 +539,8 @@ The error (in \%) compared to the reference CC3 values are reported in square br
& $\Ec$ & 46.498[$+15.15\%$] & 78.075[$+11.58\%$] & 388.907[$+1.36\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] \\
RPA@{\GOWO}@HF & $\Req$ & 1.382[$-1.43\%$] & 2.997[$-0.73\%$] & (2.965)[$+0.07\%$] & \gb{(2.389)} & \gb{(2.043)} & \gb{(2.110)} & \gb{(2.367)} & (2.571)[$-3.45\%$] \\
& $\Ec$ & 57.567[$+42.56\%$] & 101.092[$+44.47\%$] & 473.053[$+23.29\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] \\
RPAx@HF & $\Req$ & 1.394[$-0.57\%$] & 3.011[$-0.26\%$] & 2.944[$-0.64\%$] & 2.391[$-0.50\%$] & 2.041[$-1.64\%$] & \gb{(2.105)} & \gb{(2.367)} & \gb{(2.563)} \\
& $\Ec$ & 37.886[$-6.18\%$] & 65.203[$-6.82\%$] & 343.604[$-10.45\%$] & 344.249[$-9.93\%$] & 427.170[$-13.60\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] \\
RPAx@HF & $\Req$ & 1.394[$-0.57\%$] & 3.011[$-0.26\%$] & 2.944[$-0.64\%$] & 2.391[$-0.50\%$] & 2.041[$-1.64\%$] & 2.104[$-1.50\%$] & \gb{(2.367)} & \gb{(2.563)} \\
& $\Ec$ & 37.886[$-6.18\%$] & 65.203[$-6.82\%$] & 343.604[$-10.45\%$] & 344.249[$-9.93\%$] & 427.170[$-13.60\%$] & 416.315[$-12.83\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] \\
RPA@HF & $\Req$ & 1.386[$-1.14\%$] & 2.994[$-0.83\%$] & 2.946[$-0.57\%$] & 2.382[$-0.87\%$] & 2.042[$-1.59\%$] & 2.103[$-1.54\%$] & \gb{(2.365)} & \gb{(2.571)} \\
& $\Ec$ & 57.332[$+41.98\%$] & 100.164[$+43.15\%$] & 465.905[$+21.43\%$] & 442.675[$+15.83\%$] & 569.384[$+15.17\%$] & 555.857[$+16.39\%$] & xxx.xxx[$+0.00\%$] & xxx.xxx[$+0.00\%$] \\
\end{tabular}