Manuscript updates

Manuscript/CBD.bib

@@ -6,7 +6,27 @@
 
 %% Saved with string encoding Unicode (UTF-8) 
 
+@article{Head-Gordon_2003,
+	author = {Martin, Head-Gordon},
+	doi = {10.1016/S0009-2614(03)00422-6},
+	journal = {Chem. Phys. Lett.},
+	title = {Characterizing unpaired electrons from the one-particle density matrix},
+	volume = {372},
+    number = {3},
+    pages = {508-511},
+    year = {2003},
+	bdsk-url-1 = {https://doi.org/10.1016/S0009-2614(03)00422-6}}
 
+@article{Orms_2018,
+	author = {Natalie, Orms and Dirk.R, Rehn and Andreas, Dreuw and Anna I. Krylov},
+	doi = {10.1021/acs.jctc.7b01012},
+	journal = {J. Chem. Theory Comput.},
+	title = {Characterizing Bonding Patterns in Diradicals and Triradicals by Density-Based Wave Function Analysis: A Uniform Approach},
+	volume = {14},
+     number = {2},
+     pages = {638-648},
+     year = {2018},
+	bdsk-url-1 = {https://doi.org/10.1021/acs.jctc.7b01012}}
 
 @article{Gulania_2021,
 	author = {Sahil, Gulania and Eirik, F. Kj{\o}nstad and John, F. Stanton and Henrik, Koch and Anna I. Krylov},
@@ -2798,7 +2818,7 @@
 	date-modified = {2022-03-23 11:33:09 +0100},
 	doi = {10.1021/acs.jctc.8b00406},
 	journal = {J. Chem. Theory Comput.},
-	pages = {4360},
+	pages = {4360-4379},
 	title = {A Mountaineering Strategy to Excited States: {{Highly-accurate}} Reference Energies and Benchmarks},
 	volume = {14},
 	year = {2018},

Manuscript/CBD.tex

@@ -140,6 +140,9 @@ Finally, another option to deal with these chemical scenarios is to rely on the
 One can address part of this issue by increasing the excitation order or by complementing the spin-incomplete configuration set with the missing configurations. \cite{Sears_2003,Casanova_2008,Huix-Rotllant_2010,Li_2010,Li_2011a,Li_2011b,Zhang_2015,Lee_2018}
 %both solutions being associated with an increased computational cost. 
 
+\alert{It is also important to note that we can obtain insights into the electronic structure with the number of unpaired electrons using Head-Gordon \cite{Head-Gordon_2003} index which provide a quantification of the polyradical character associated to a given electronic state. \cite{Orms_2018}}
+
+
 In the present work, we define highly-accurate reference values and investigate the accuracy of each family of computational methods mentioned above on the automerization barrier and the low-lying excited states of CBD at the {\Dtwo} and {\Dfour} ground-state geometries. 
 Computational details are reported in Sec.~\ref{sec:compmet}.
 Section \ref{sec:res} is devoted to the discussion of our results.