diff --git a/CC_cc-pvdz.txt b/CC_cc-pvdz.txt index fc958b2..3a679e0 100644 --- a/CC_cc-pvdz.txt +++ b/CC_cc-pvdz.txt @@ -235,7 +235,7 @@ CC3 -263.576087839704883 -0.906214393900430 CC4 -263.577327205407130 -0.907453759605642 CCSD -263.534747974086542 -0.864874528282081 CCSDT -263.573862010899859 -0.903988565095408 -CCSDTQ +CCSDTQ -263.576990082064299 -0.907116636262810 CCSD(T) -263.5739685 -0.9040950542 ======== diff --git a/Manuscript/Ec.tex b/Manuscript/Ec.tex index ccde78a..51807bc 100644 --- a/Manuscript/Ec.tex +++ b/Manuscript/Ec.tex @@ -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 & & & $-263.6053$ & $-902.3$ & & & & & & & $-295.5712$ & $-955.4$ & & \\ + CCSDTQ & & & $-263.6053$ & $-902.3$ & $-263.5770$ & $-907.1$ & & & & & $-295.5712$ & $-955.4$ & & \\ \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