biblio

Manuscript/CBD.bib

@@ -6,6 +6,39 @@
 
 %% Saved with string encoding Unicode (UTF-8) 
 
+@article{Gururangan_2021,
+	author = {Karthik, Gururangan and J. Emiliano, Deustua and Jun, Shen and Piotr,Piecuch},
+	doi = {10.1063/5.0064400},
+	journal = {J. Chem. Phys.},
+	number = {17},
+	pages = {174114},
+	title = {High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction},
+	volume = {155},
+	year = {2021},
+	bdsk-url-1 = {https://doi.org/10.1063/5.0064400}}
+	
+@article{Deustua_2021,
+	author = {J. Emiliano, Deustua and Jun, Shen and Piotr,Piecuch},
+	doi = {10.1063/5.0045468},
+	journal = {J. Chem. Phys.},
+	number = {12},
+	pages = {124103},
+	title = {High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons},
+	volume = {154},
+	year = {2021},
+	bdsk-url-1 = {https://doi.org/10.1063/5.0045468}}	
+	
+	
+@article{Ajala_2017,
+	author = {Adeayo, O. Ajala and Jun, Shen and Piotr, Piecuch},
+	doi = {10.1021/acs.jpca.6b11393},
+	journal = {J. Phys. Chem. A},
+	number = {18},
+	pages = {3469--3485},
+	title = {Economical Doubly Electron-Attached Equation-of-Motion Coupled- Cluster Methods with an Active-Space Treatment of Three-Particle− One-Hole and Four-Particle−Two-Hole Excitations},
+	volume = {121},
+	year = {2017},
+	bdsk-url-1 = {https://doi.org/10.1021/acs.jpca.6b11393}}
 
 
 @article{Kancherla_2019,

Manuscript/CBD.tex

@@ -389,7 +389,7 @@ See {\SupInf} for the total energies.}
 %%% %%% %%% %%%
 
 The results concerning the automerization barrier are reported in Table \ref{tab:auto_standard} for various basis sets and shown in Fig.~\ref{fig:AB} for the aug-cc-pVTZ basis.
-Our TBE with this basis set is \SI{8.93}{\kcalmol}, which is in excellent agreement with previous studies \cite{Eckert-Maksic_2006,Li_2009,Shen_2012,Zhang_2019,Gurunrangan_2021,Deustua_2021} (see {\SupInf}).
+Our TBE with this basis set is \SI{8.93}{\kcalmol}, which is in excellent agreement with previous studies \cite{Eckert-Maksic_2006,Li_2009,Shen_2012,Zhang_2019,Gururangan_2021,Deustua_2021} (see {\SupInf}).
 
 First, one can see large variations of the energy barrier at the SF-TD-DFT level, with differences as large as \SI{10}{\kcalmol} between the different functionals for a given basis set.  
 Nonetheless, it is clear that the performance of a given functional is directly linked to the amount of exact exchange at short range.

Manuscript/sup-CBD.tex

@@ -238,7 +238,7 @@ Literature & $8.53$\fnm[5] & $1.573$\fnm[5] & $3.208$\fnm[5] & $4.247$\fnm[5] &
             CCSDt/cc-pVTZ 			& $9.5$		&	Ref.~\onlinecite{Shen_2012}\\
             CCSD(T)-h/cc-pVTZ 		& $6.8$		&	Ref.~\onlinecite{Shen_2012}\\
             CC(t;3)/cc-pVTZ			& $10.0$	&	Ref.~\onlinecite{Shen_2012}\\
-           \alert{ CC(P;Q)/cc-pVDZ}           &\alert{$8.65$}   &  Ref.~\onlinecite{Gurunrangan_2021}\\
+           \alert{ CC(P;Q)/cc-pVDZ}           &\alert{$8.65$}   &  Ref.~\onlinecite{Gururangan_2021}\\
 		\end{tabular}
 	\end{ruledtabular}
 \end{table}