diff --git a/Manuscript/sfBSE-control.bib b/Manuscript/sfBSE-control.bib new file mode 100644 index 0000000..5187ef4 --- /dev/null +++ b/Manuscript/sfBSE-control.bib @@ -0,0 +1,15 @@ +%% This BibTeX bibliography file was created using BibDesk. +%% http://bibdesk.sourceforge.net/ + +%% Created for Pierre-Francois Loos at 2021-01-19 16:50:57 +0100 + + +%% Saved with string encoding Unicode (UTF-8) + + + +@control{achemso-control, + ctrl-article-title = {yes}, + ctrl-chapter-title = {yes}, + ctrl-etal-firstonly = {yes}, + ctrl-etal-number = {30}} diff --git a/Manuscript/sfBSE.bib b/Manuscript/sfBSE.bib index 151a944..58004a1 100644 --- a/Manuscript/sfBSE.bib +++ b/Manuscript/sfBSE.bib @@ -1,7 +1,7 @@ %% This BibTeX bibliography file was created using BibDesk. %% http://bibdesk.sourceforge.net/ -%% Created for Pierre-Francois Loos at 2021-01-18 20:20:29 +0100 +%% Created for Pierre-Francois Loos at 2021-01-19 16:50:28 +0100 %% Saved with string encoding Unicode (UTF-8) @@ -359,7 +359,8 @@ pages = {191}, title = {Potential energy surfaces without unphysical discontinuities: the Coulomb-hole plus screened exchange approach}, volume = {17}, - year = {2020}} + year = {2020}, + Bdsk-Url-1 = {https://doi.org/10.1021/acs.jctc.0c00896}} @article{Bernard_2013, author = {Bernard, Yves A. and Loos, Pierre-Fran{\c c}ois and Gill, Peter M.W.}, @@ -1430,12 +1431,12 @@ @article{Sutton_2018, author = {Sutton, Christopher and Yang, Yang and Zhang, Du and Yang, Weitao}, date-added = {2020-12-09 09:08:46 +0100}, - date-modified = {2020-12-09 09:09:02 +0100}, + date-modified = {2021-01-19 16:48:54 +0100}, doi = {10.1021/acs.jpclett.8b01366}, journal = {J. Phys. Chem. Lett.}, number = {14}, pages = {4029-4036}, - title = {Single, Double Electronic Excitations and Exciton Effective Conjugation Lengths in π-Conjugated Systems}, + title = {Single, Double Electronic Excitations and Exciton Effective Conjugation Lengths in {$\pi$}-Conjugated Systems}, volume = {9}, year = {2018}, Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.8b01366}} @@ -1482,12 +1483,12 @@ @article{Golubeva_2007, author = {Golubeva, Anna A. and Nemukhin, Alexandr V. and Klippenstein, Stephen J. and Harding, Lawrence B. and Krylov, Anna I.}, date-added = {2020-12-06 15:04:33 +0100}, - date-modified = {2020-12-09 10:10:05 +0100}, + date-modified = {2021-01-19 16:49:18 +0100}, doi = {10.1021/jp0764079}, journal = {J. Phys. Chem. A}, number = {50}, pages = {13264-13271}, - title = {Performance of the Spin-Flip and Multireference Methods for Bond Breaking in Hydrocarbons:  A Benchmark Study}, + title = {Performance of the Spin-Flip and Multireference Methods for Bond Breaking in Hydrocarbons: A Benchmark Study}, volume = {111}, year = {2007}, Bdsk-Url-1 = {https://doi.org/10.1021/jp0764079}} @@ -1574,13 +1575,13 @@ abstract = {A spin-flip time dependent density functional theory approach with hybrid non-collinear exchange--correlation kernels has been applied to investigate the energy gap between the lowest singlet and triplet states of σ,σ-biradicals. The obtained results indicate that spin-flip time dependent density functional theory is capable to predict the correct ordering of singlet and triplet states among all investigated biradicals and that it gives estimates of singlet--triplet splittings in good agreement with high level correlated ab initio calculations. The theory provides a superior accuracy compared to the conventional broken-symmetry unrestricted density functional theory methods.}, author = {Zilvinas Rinkevicius and Hans {\AA}gren}, date-added = {2020-12-06 14:56:16 +0100}, - date-modified = {2020-12-06 14:56:28 +0100}, + date-modified = {2021-01-19 16:50:19 +0100}, doi = {https://doi.org/10.1016/j.cplett.2010.03.074}, issn = {0009-2614}, journal = {Chem. Phys. Lett.}, number = {4}, pages = {132 - 135}, - title = {Spin-flip time dependent density functional theory for singlet--triplet splittings in σ,σ-biradicals}, + title = {Spin-flip time dependent density functional theory for singlet--triplet splittings in {$sigma$}-{$sigma$}-biradicals}, url = {http://www.sciencedirect.com/science/article/pii/S0009261410004859}, volume = {491}, year = {2010}, @@ -1704,12 +1705,12 @@ @article{Slipchenko_2003, author = {Slipchenko,Lyudmila V. and Krylov,Anna I.}, date-added = {2020-12-06 14:34:59 +0100}, - date-modified = {2020-12-09 10:09:42 +0100}, + date-modified = {2021-01-19 16:49:41 +0100}, doi = {10.1063/1.1561052}, journal = {J. Chem. Phys.}, number = {15}, pages = {6874-6883}, - title = {Electronic structure of the trimethylenemethane diradical in its ground and electronically excited states: Bonding, equilibrium geometries, and vibrational frequencies}, + title = {Electronic structure of the trimethylenemethane diradical in its ground and electronically excited states: Bonding, equilibrium geometries, and vibrational frequencies}, volume = {118}, year = {2003}, Bdsk-Url-1 = {https://doi.org/10.1063/1.1561052}} diff --git a/Manuscript/sfBSE.tex b/Manuscript/sfBSE.tex index 347b57d..ee47159 100644 --- a/Manuscript/sfBSE.tex +++ b/Manuscript/sfBSE.tex @@ -1,6 +1,9 @@ \documentclass[aip,jcp,reprint,noshowkeys,superscriptaddress]{revtex4-1} \usepackage{graphicx,dcolumn,bm,xcolor,microtype,multirow,amscd,amsmath,amssymb,amsfonts,physics,longtable,wrapfig,txfonts} \usepackage[version=4]{mhchem} +\usepackage{natbib} +\bibliographystyle{achemso} +\AtBeginDocument{\nocite{achemso-control}} \usepackage[utf8]{inputenc} \usepackage[T1]{fontenc} @@ -1042,7 +1045,7 @@ Additional graphs comparing (SF-)TD-BLYP, (SF-)TD-B3LYP, and (SF-)dBSE with EOM- %The data that supports the findings of this study are available within the article and its supplementary material. %%%%%%%%%%%%%%%%%%%%%%%% -\bibliography{sfBSE} +\bibliography{sfBSE,sfBSE-control} %%%%%%%%%%%%%%%%%%%%%%%% \end{document}