diff --git a/Manuscript/H2_BSE_RHF.pdf b/Manuscript/H2_BSE_RHF.pdf new file mode 100644 index 0000000..2ad8e6a Binary files /dev/null and b/Manuscript/H2_BSE_RHF.pdf differ diff --git a/Manuscript/H2_BSE_RHF.png b/Manuscript/H2_BSE_RHF.png index 4c8ab19..e75aa60 100644 Binary files a/Manuscript/H2_BSE_RHF.png and b/Manuscript/H2_BSE_RHF.png differ diff --git a/Manuscript/H2_CIS.pdf b/Manuscript/H2_CIS.pdf new file mode 100644 index 0000000..8b824ef Binary files /dev/null and b/Manuscript/H2_CIS.pdf differ diff --git a/Manuscript/H2_TDDFT.pdf b/Manuscript/H2_TDDFT.pdf new file mode 100644 index 0000000..b78af28 Binary files /dev/null and b/Manuscript/H2_TDDFT.pdf differ diff --git a/Manuscript/sfBSE.tex b/Manuscript/sfBSE.tex index 52ad3f9..35c0214 100644 --- a/Manuscript/sfBSE.tex +++ b/Manuscript/sfBSE.tex @@ -761,9 +761,9 @@ In the last panel we have results for BSE calculation with and without spin-flip \begin{figure*} -\includegraphics[width=0.49\linewidth]{H2_CIS.png} -\includegraphics[width=0.49\linewidth]{H2_TDDFT.png} -\includegraphics[width=0.49\linewidth]{H2_BSE_RHF.png} +\includegraphics[width=0.49\linewidth]{H2_CIS.pdf} +\includegraphics[width=0.49\linewidth]{H2_TDDFT.pdf} +\includegraphics[width=0.49\linewidth]{H2_BSE_RHF.pdf} \caption{ Excitation energies of the three states of interest [with respect to the singlet ground state] of \ce{H2} obtained with the cc-pVQZ basis. Three sets of curves are drawn, the solid curves are the references (EOM-CCSD), the dashed curves are obtained with spin-flip method and the dotted curves are obtained without using spin-flip. The left panel shows CIS results, the right panel shows TD-BHHLYP results and the last panel shows the BSE results. All the spin-flip calculations have been performed with a UHF reference.