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Merge branch 'master' of https://git.irsamc.ups-tlse.fr/loos/sfBSE

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15
Manuscript/sfBSE-control.bib Normal file
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@ -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}}

21
Manuscript/sfBSE.bib
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@ -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}}

5
Manuscript/sfBSE.tex
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@ -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}