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update triazine

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This commit is contained in:
Pierre-Francois Loos 2020-11-17 09:15:36 +01:00
parent f8b215b84d
commit 40cf40565d
2 changed files with 2 additions and 2 deletions
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CC_cc-pvdz.txt
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@ -352,6 +352,6 @@ CC3 -279.632903200419094 -0.915583810723581
CC4 -279.633395016566340 -0.916075626870853
CCSD -279.591139307707863 -0.873819918012385
CCSDT -279.630035882850507 -0.912716493155011
CCSDTQ
CCSDTQ -279.633089963354792 -0.915770573661020
CCSD(T) -279.6304634 -0.9131440103

2
Manuscript/Ec.tex
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@ -146,7 +146,7 @@ We have found that $\expval*{\Hat{S}^2}$ is, nonetheless, very close to zero for
\hline
CCSD & $-231.5440$ & $-821.8$ & $-263.5640$ & $-861.0$ & $-263.5347$ & $-864.9$ & $-247.5559$ & $-840.7$ & $-263.5716$ & $-858.0$ & $-295.5248$ & $-909.1$ & $-279.5911$ & $-873.8$ \\
CCSDT & $-231.5802$ & $-857.9$ & $-263.6024$ & $-899.4$ & $-263.5739$ & $-904.0$ & $-247.5931$ & $-877.9$ & $-263.6097$ & $-896.1$ & $-295.5673$ & $-951.6$ & $-279.6300$ & $-912.7$ \\
CCSDTQ & & & $-263.6053$ & $-902.3$ & $-263.5770$ & $-907.1$ & & & & & $-295.5712$ & $-955.4$ & & \\
CCSDTQ & & & $-263.6053$ & $-902.3$ & $-263.5770$ & $-907.1$ & & & & & $-295.5712$ & $-955.4$ & $-279.6331$ & $-915.8$ \\
\hline
CCSD(T) & $-231.5798$ & $-857.5$ & $-263.6024$ & $-899.4$ & $-263.5740$ & $-904.1$ & $-247.5929$ & $-877.7$ & $-263.6099$ & $-896.2$ & $-295.5680$ & $-952.2$ & $-279.6305$ & $-913.1$ \\
\hline