From a2baf2fcb2161acbdf765a4fc5460ce6d65dfeb8 Mon Sep 17 00:00:00 2001 From: EnzoMonino Date: Wed, 25 May 2022 09:43:21 +0200 Subject: [PATCH] add EOM-DEA-CCSD results --- Manuscript/CBD.bib | 11 +++++++++++ Manuscript/sup-CBD.tex | 10 ++++++---- 2 files changed, 17 insertions(+), 4 deletions(-) diff --git a/Manuscript/CBD.bib b/Manuscript/CBD.bib index 84fbd5c..768aa6c 100644 --- a/Manuscript/CBD.bib +++ b/Manuscript/CBD.bib @@ -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}, diff --git a/Manuscript/sup-CBD.tex b/Manuscript/sup-CBD.tex index 21d9be3..19ff5fc 100644 --- a/Manuscript/sup-CBD.tex +++ b/Manuscript/sup-CBD.tex @@ -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}