diff --git a/Manuscript/srDFT_SC.bib b/Manuscript/srDFT_SC.bib index 1175ea2..02a0503 100644 --- a/Manuscript/srDFT_SC.bib +++ b/Manuscript/srDFT_SC.bib @@ -25,6 +25,7 @@ Date-Modified = {2020-01-23 09:40:07 +0100}, Publisher = {Royal Society of Chemistry}, Series = {Theoretical and Computational Chemistry Series}, + ISBN = {978-1-78262-045-7}, Title = {London Dispersion Forces in Molecules, Solids and Nano-structures: An Introduction to Physical Models and Computational Methods}, Year = {2020}} @@ -9514,13 +9515,19 @@ Year = {1991}} @incollection{Sav-INC-96a, - Author = {A. Savin}, + Author = {Savin, Andreas}, Booktitle = {Recent Advances in Density Functional Theory}, Editor = {D. P. Chong}, - Pages = {129-148}, Publisher = {World Scientific}, Title = {Beyond the Kohn-Sham Determinant}, - Year = {1996}} + Pages = {129--153}, + year = {1995}, + month = {Nov}, + isbn = {978-981-02-2442-4}, + publisher = {World scientifIC}, + doi = {10.1142/9789812830586_0004} +} + @incollection{Sav-INC-96, Address = {Amsterdam}, diff --git a/Manuscript/srDFT_SC_old.tex b/Manuscript/srDFT_SC_old.tex index 60776b6..c0d59c6 100644 --- a/Manuscript/srDFT_SC_old.tex +++ b/Manuscript/srDFT_SC_old.tex @@ -642,18 +642,18 @@ Error to additivity & 1.0 $\times 10^{-13}$ & 0.02296 & 8. \label{sec:results} %%%%%%%%%%%%%%%%%%%%%%%% \begin{figure} - \includegraphics[width=\linewidth]{data/N2/DFT_avdzE_relat.eps} - \includegraphics[width=\linewidth]{data/N2/DFT_avdzE_relat_zoom.eps} -% \includegraphics[width=\linewidth]{data/N2/DFT_avdzE_error.eps} + \includegraphics[width=\linewidth]{data/N2/DFT_avdzE_relat.pdf} + \includegraphics[width=\linewidth]{data/N2/DFT_avdzE_relat_zoom.pdf} +% \includegraphics[width=\linewidth]{data/N2/DFT_avdzE_error.pdf} \caption{ N$_2$, aug-cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. \label{fig:N2_avdz}} \end{figure} \begin{figure} - \includegraphics[width=\linewidth]{data/N2/DFT_avtzE_relat.eps} - \includegraphics[width=\linewidth]{data/N2/DFT_avtzE_relat_zoom.eps} -% \includegraphics[width=\linewidth]{data/N2/DFT_avtzE_error.eps}\\ + \includegraphics[width=\linewidth]{data/N2/DFT_avtzE_relat.pdf} + \includegraphics[width=\linewidth]{data/N2/DFT_avtzE_relat_zoom.pdf} +% \includegraphics[width=\linewidth]{data/N2/DFT_avtzE_error.pdf}\\ % \includegraphics[width=\linewidth]{fig2c} \caption{ N$_2$, aug-cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. @@ -693,9 +693,8 @@ H$_{10}$, cc-pvqz & 661.2$/$4.2 & 664.1$/$1.3 \end{table*} \begin{figure} - \includegraphics[width=\linewidth]{data/F2/DFT_avdzE_relat.eps} - \includegraphics[width=\linewidth]{data/F2/DFT_avdzE_relat_zoom.eps} -% \includegraphics[width=\linewidth]{data/F2/DFT_avdzE_error.eps}\\ + \includegraphics[width=\linewidth]{data/F2/DFT_avdzE_relat.pdf} + \includegraphics[width=\linewidth]{data/F2/DFT_avdzE_relat_zoom.pdf} % \includegraphics[width=\linewidth]{fig2c} \caption{ F$_2$, aug-cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. @@ -703,9 +702,8 @@ H$_{10}$, cc-pvqz & 661.2$/$4.2 & 664.1$/$1.3 \end{figure} \begin{figure} - \includegraphics[width=\linewidth]{data/F2/DFT_avtzE_relat.eps} - \includegraphics[width=\linewidth]{data/F2/DFT_avtzE_relat_zoom.eps} -% \includegraphics[width=\linewidth]{data/F2/DFT_avtzE_error.eps}\\ + \includegraphics[width=\linewidth]{data/F2/DFT_avtzE_relat.pdf} + \includegraphics[width=\linewidth]{data/F2/DFT_avtzE_relat_zoom.pdf} % \includegraphics[width=\linewidth]{fig2c} \caption{ F$_2$, aug-cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. @@ -714,10 +712,10 @@ H$_{10}$, cc-pvqz & 661.2$/$4.2 & 664.1$/$1.3 \begin{figure} -% \includegraphics[width=\linewidth]{data/H10/DFT_avdzE_relat.eps} - \includegraphics[width=\linewidth]{data/H10/DFT_vdzE_relat.eps}\\ - \includegraphics[width=\linewidth]{data/H10/DFT_vdzE_relat_zoom.eps} -% \includegraphics[width=\linewidth]{data/H10/DFT_vdzE_error.eps}\\ +% \includegraphics[width=\linewidth]{data/H10/DFT_avdzE_relat.pdf} + \includegraphics[width=\linewidth]{data/H10/DFT_vdzE_relat.pdf}\\ + \includegraphics[width=\linewidth]{data/H10/DFT_vdzE_relat_zoom.pdf} +% \includegraphics[width=\linewidth]{data/H10/DFT_vdzE_error.pdf}\\ % \includegraphics[width=\linewidth]{fig2c} \caption{ H$_{10}$, cc-pvdz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. @@ -726,8 +724,8 @@ H$_{10}$, cc-pvqz & 661.2$/$4.2 & 664.1$/$1.3 \begin{figure} - \includegraphics[width=\linewidth]{data/H10/DFT_vtzE_relat.eps}\\ - \includegraphics[width=\linewidth]{data/H10/DFT_vtzE_relat_zoom.eps} + \includegraphics[width=\linewidth]{data/H10/DFT_vtzE_relat.pdf}\\ + \includegraphics[width=\linewidth]{data/H10/DFT_vtzE_relat_zoom.pdf} % \includegraphics[width=\linewidth]{fig2c} \caption{ H$_{10}$, cc-pvtz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one. @@ -736,8 +734,8 @@ H$_{10}$, cc-pvqz & 661.2$/$4.2 & 664.1$/$1.3 \begin{figure} - \includegraphics[width=\linewidth]{data/H10/DFT_vqzE_relat.eps}\\ - \includegraphics[width=\linewidth]{data/H10/DFT_vqzE_relat_zoom.eps} + \includegraphics[width=\linewidth]{data/H10/DFT_vqzE_relat.pdf}\\ + \includegraphics[width=\linewidth]{data/H10/DFT_vqzE_relat_zoom.pdf} % \includegraphics[width=\linewidth]{fig2c} \caption{ H$_{10}$, cc-pvqz: Comparison between the near FCI and corrected near FCI energies and the estimated exact one.