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add EOM-DEA-CCSD results

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EnzoMonino 2022-05-25 09:43:21 +02:00
parent d36fc00154
commit a2baf2fcb2
2 changed files with 17 additions and 4 deletions
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11
Manuscript/CBD.bib
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@ -6,6 +6,17 @@
%% Saved with string encoding Unicode (UTF-8)
@article{Gulania_2021,
author = {Sahil, Gulania and Eirik, F. Kjønstad and John, F. Stanton and Henrik, Koch and Anna I. Krylov},
doi = {10.1063/5.0041822},
journal = {J. Chem. Phys.},
number = {11},
pages = {114115},
title = {Equation-of-motion coupled-cluster method with double electron-attaching operators: Theory, implementation, and benchmarks},
volume = {154},
year = {2021},
bdsk-url-1 = {https://doi.org/10.1063/5.0041822}}
@article{Gururangan_2021,
author = {Karthik, Gururangan and J. Emiliano, Deustua and Jun, Shen and Piotr,Piecuch},
doi = {10.1063/5.0064400},

10
Manuscript/sup-CBD.tex
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@ -195,8 +195,9 @@ Literature & $8.53$\fnm[5] & $1.573$\fnm[5] & $3.208$\fnm[5] & $4.247$\fnm[5] &
& $10.35$\fnm[6] & $1.576$\fnm[6] & $3.141$\fnm[6] & $3.796$\fnm[6] & $0.217$\fnm[6] & $1.123$\fnm[6] & $1.799$\fnm[6]\\
& $9.58$\fnm[7]& $1.456$\fnm[7] & $3.285$\fnm[7] & $4.334$\fnm[7] & $0.083$\fnm[7] & $1.621$\fnm[7] & $1.930$\fnm[7] \\
& $7.48$\fnm[8]& $1.654$\fnm[8] & $3.416$\fnm[8] & $4.360$\fnm[8] & $0.369$\fnm[8] & $1.824$\fnm[8] & $2.143$\fnm[8] \\
& & & & & \alert{$0.062$}\fnm[9] & &\\
& & & & & \alert{$0.219$}\fnm[10] & & \\
& & \alert{$1.403$}\fnm[9] & \alert{$3.120$}\fnm[9] & \alert{$4.127$}\fnm[9] & \alert{$0.023$}\fnm[9] & \alert{$1.406$}\fnm[9] & \alert{$1.751$}\fnm[9] \\
& & & & & \alert{$0.062$}\fnm[10] & &\\
& & & & & \alert{$0.219$}\fnm[11] & & \\
\end{tabular}
\end{ruledtabular}
@ -208,8 +209,9 @@ Literature & $8.53$\fnm[5] & $1.573$\fnm[5] & $3.208$\fnm[5] & $4.247$\fnm[5] &
\fnt[6]{Value obtained from Ref.~\onlinecite{Lefrancois_2015} at the SF-ADC(2)-x/cc-pVTZ level with the geometry obtained at the CCSD(T)/cc-pVTZ level.}
\fnt[7]{Value obtained from Ref.~\onlinecite{Lefrancois_2015} at the SF-ADC(3)/cc-pVTZ level with the geometry obtained at the CCSD(T)/cc-pVTZ level.}
\fnt[8]{Value obtained from Ref.~\onlinecite{Manohar_2008} at the EOM-SF-CCSD/cc-pVTZ level with the geometry obtained at the CCSD(T)/cc-pVTZ level.}
\fnt[9]{Value obtained from Ref.~\onlinecite{Ajala_2017} at the DEA-EOM-CC(3p-1h)/cc-pVDZ level with the geometry obtained at the CCSD/cc-pVDZ level.}
\fnt[10]{Value obtained from Ref.~\onlinecite{Ajala_2017} at the DEA-EOM-CC(4p-2h)/cc-pVDZ level with the geometry obtained at the CCSD/cc-pVDZ level.}
\fnt[9]{Value obtained from Ref.~\onlinecite{Gulania_2021} at the EOM-DEA-CCSD/cc-pVTZ level with the geometry obtained at the CCSD(T)/cc-pVTZ level.}
\fnt[10]{Value obtained from Ref.~\onlinecite{Ajala_2017} at the DEA-EOM-CC(3p-1h)/cc-pVDZ level with the geometry obtained at the CCSD/cc-pVDZ level.}
\fnt[11]{Value obtained from Ref.~\onlinecite{Ajala_2017} at the DEA-EOM-CC(4p-2h)/cc-pVDZ level with the geometry obtained at the CCSD/cc-pVDZ level.}
\end{table*}
%\end{squeezetable}