From 437d10ea47624fc1db21688ef2153c51b055e2ca Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 27 May 2020 13:44:21 +0200 Subject: [PATCH] abstract --- Manuscript/BSE_JPCL.bib | 215 +++++++++++++++++++--------------------- Manuscript/BSE_JPCL.tex | 2 +- TOC/TOC.pdf | Bin 86462 -> 85309 bytes TOC/TOC.tex | 18 ++-- 4 files changed, 110 insertions(+), 125 deletions(-) diff --git a/Manuscript/BSE_JPCL.bib b/Manuscript/BSE_JPCL.bib index f991cb0..933cdd0 100644 --- a/Manuscript/BSE_JPCL.bib +++ b/Manuscript/BSE_JPCL.bib @@ -1,7 +1,7 @@ %% This BibTeX bibliography file was created using BibDesk. %% http://bibdesk.sourceforge.net/ -%% Created for Pierre-Francois Loos at 2020-05-25 11:57:31 +0200 +%% Created for Pierre-Francois Loos at 2020-05-26 17:26:29 +0200 %% Saved with string encoding Unicode (UTF-8) @@ -2002,9 +2002,9 @@ @article{Schirmer_1982, Author = {Jochen Schirmer}, Date-Added = {2020-05-18 21:40:28 +0200}, - Date-Modified = {2020-05-18 21:40:28 +0200}, + Date-Modified = {2020-05-26 17:17:22 +0200}, Doi = {10.1103/PhysRevA.26.2395}, - Journal = PRA, + Journal = {Phys. Rev. A}, Pages = {2395--2416}, Title = {Beyond the Random-Phase Approximation: a new Approximation Scheme for the Polarization Propagator}, Volume = 26, @@ -14435,128 +14435,113 @@ Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.93.235113}, Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.93.235113}} -%%% PCM and QM/MM - @article{Baumeier_2014, -author = {Baumeier, Björn and Rohlfing, Michael and Andrienko, Denis}, -title = {Electronic Excitations in Push–Pull Oligomers and Their Complexes with Fullerene from Many-Body Green’s Functions Theory with Polarizable Embedding}, -journal = { J. Chem. Theory Comput. }, -volume = {10}, -number = {8}, -pages = {3104-3110}, -year = {2014}, -doi = {10.1021/ct500479f}, - note ={PMID: 26588281}, -URL = { https://doi.org/10.1021/ct500479f}, -eprint = { https://doi.org/10.1021/ct500479f} -} - + Author = {Baumeier, Bj{\"o}rn and Rohlfing, Michael and Andrienko, Denis}, + Doi = {10.1021/ct500479f}, + Eprint = {https://doi.org/10.1021/ct500479f}, + Journal = {J. Chem. Theory Comput.}, + Note = {PMID: 26588281}, + Number = {8}, + Pages = {3104-3110}, + Title = {Electronic Excitations in Push--Pull Oligomers and Their Complexes with Fullerene from Many-Body Green's Functions Theory with Polarizable Embedding}, + Url = {https://doi.org/10.1021/ct500479f}, + Volume = {10}, + Year = {2014}, + Bdsk-Url-1 = {https://doi.org/10.1021/ct500479f}} @article{Duchemin_2016, -author = {Duchemin,Ivan and Jacquemin,Denis and Blase,Xavier }, -title = {Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach}, -journal = { J. Chem. Phys. }, -volume = {144}, -number = {16}, -pages = {164106}, -year = {2016}, -doi = {10.1063/1.4946778}, -URL = { https://doi.org/10.1063/1.4946778}, -eprint = { https://doi.org/10.1063/1.4946778} -} - + Author = {Duchemin,Ivan and Jacquemin,Denis and Blase,Xavier}, + Doi = {10.1063/1.4946778}, + Eprint = {https://doi.org/10.1063/1.4946778}, + Journal = {J. Chem. Phys.}, + Number = {16}, + Pages = {164106}, + Title = {Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach}, + Url = {https://doi.org/10.1063/1.4946778}, + Volume = {144}, + Year = {2016}, + Bdsk-Url-1 = {https://doi.org/10.1063/1.4946778}} @article{Li_2016, -author = {Li, Jing and D’Avino, Gabriele and Duchemin, Ivan and Beljonne, David and Blase, Xavier}, -title = {Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids}, -journal = { J. Phys. Chem. Lett. }, -volume = {7}, -number = {14}, -pages = {2814-2820}, -year = {2016}, -doi = {10.1021/acs.jpclett.6b01302}, - note ={PMID: 27388926}, -URL = { https://doi.org/10.1021/acs.jpclett.6b01302}, -eprint = { https://doi.org/10.1021/acs.jpclett.6b01302} -} + Author = {Li, Jing and D'Avino, Gabriele and Duchemin, Ivan and Beljonne, David and Blase, Xavier}, + Doi = {10.1021/acs.jpclett.6b01302}, + Eprint = {https://doi.org/10.1021/acs.jpclett.6b01302}, + Journal = {J. Phys. Chem. Lett.}, + Note = {PMID: 27388926}, + Number = {14}, + Pages = {2814-2820}, + Title = {Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids}, + Url = {https://doi.org/10.1021/acs.jpclett.6b01302}, + Volume = {7}, + Year = {2016}, + Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.6b01302}} @article{Varsano_2016, - doi = {10.1088/0953-8984/29/1/013002}, - url = {https://doi.org/10.1088%2F0953-8984%2F29%2F1%2F013002}, - year = 2016, - month = {nov}, - publisher = {{IOP} Publishing}, - volume = {29}, - number = {1}, - pages = {013002}, - author = {Daniele Varsano and Stefano Caprasecca and Emanuele Coccia}, - title = {Theoretical description of protein field effects on electronic excitations of biological chromophores}, - journal = {J. Phys.: Cond. Matt.}, -} -@Article{Duchemin_2018, -author ="Duchemin, Ivan and Guido, Ciro A. and Jacquemin, Denis and Blase, Xavier", -title ="The Bethe–Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features", -journal ="Chem. Sci.", -year ="2018", -volume ="9", -issue ="19", -pages ="4430-4443", -publisher ="The Royal Society of Chemistry", -doi ="10.1039/C8SC00529J", -url ="http://dx.doi.org/10.1039/C8SC00529J" -} + Author = {Daniele Varsano and Stefano Caprasecca and Emanuele Coccia}, + Doi = {10.1088/0953-8984/29/1/013002}, + Journal = {J. Phys.: Cond. Matt.}, + Month = {nov}, + Number = {1}, + Pages = {013002}, + Publisher = {{IOP} Publishing}, + Title = {Theoretical description of protein field effects on electronic excitations of biological chromophores}, + Url = {https://doi.org/10.1088%2F0953-8984%2F29%2F1%2F013002}, + Volume = {29}, + Year = 2016, + Bdsk-Url-1 = {https://doi.org/10.1088%2F0953-8984%2F29%2F1%2F013002}, + Bdsk-Url-2 = {https://doi.org/10.1088/0953-8984/29/1/013002}} + +@article{Duchemin_2018, + Author = {Duchemin, Ivan and Guido, Ciro A. and Jacquemin, Denis and Blase, Xavier}, + Doi = {10.1039/C8SC00529J}, + Issue = {19}, + Journal = {Chem. Sci.}, + Pages = {4430-4443}, + Publisher = {The Royal Society of Chemistry}, + Title = {The Bethe--Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features}, + Url = {http://dx.doi.org/10.1039/C8SC00529J}, + Volume = {9}, + Year = {2018}, + Bdsk-Url-1 = {http://dx.doi.org/10.1039/C8SC00529J}} @article{Tirimbo_2020, -author = {Tirimb\`{o},G. and Sundaram,V. and \c{C}aylak,O. and Scharpach,W. and Sijen,J. and Junghans,C. and Brown,J. and Ruiz,F. Zapata and Renaud,N. and Wehner,J. and Baumeier,B. }, -title = {Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP}, -journal = { J. Chem. Phys. }, -volume = {152}, -number = {11}, -pages = {114103}, -year = {2020}, -doi = {10.1063/1.5144277}, -URL = { https://doi.org/10.1063/1.5144277}, -eprint = { https://doi.org/10.1063/1.5144277} -} - -@Article{Li_2019, -author ="Li, Jing and Duchemin, Ivan and Roscioni, Otello Maria and Friederich, Pascal and Anderson, Marie and Da Como, Enrico and Kociok-K\"{o}hn, Gabriele and Wenzel, Wolfgang and Zannoni, Claudio and Beljonne, David and Blase, Xavier and D{'}Avino, Gabriele", -title ="Host dependence of the electron affinity of molecular dopants", -journal ="Mater. Horiz.", -year ="2019", -volume ="6", -issue ="1", -pages ="107-114", -publisher ="The Royal Society of Chemistry", -doi ="10.1039/C8MH00921J", -url ="http://dx.doi.org/10.1039/C8MH00921J" -} - + Author = {Tirimb\`{o},G. and Sundaram,V. and \c{C}aylak,O. and Scharpach,W. and Sijen,J. and Junghans,C. and Brown,J. and Ruiz,F. Zapata and Renaud,N. and Wehner,J. and Baumeier,B.}, + Doi = {10.1063/1.5144277}, + Eprint = {https://doi.org/10.1063/1.5144277}, + Journal = {J. Chem. Phys.}, + Number = {11}, + Pages = {114103}, + Title = {Excited-state electronic structure of molecules using many-body Green's functions: Quasiparticles and electron--hole excitations with VOTCA-XTP}, + Url = {https://doi.org/10.1063/1.5144277}, + Volume = {152}, + Year = {2020}, + Bdsk-Url-1 = {https://doi.org/10.1063/1.5144277}} @article{Cammi_2005, -author = {Cammi,R. and Corni,S. and Mennucci,B. and Tomasi,J. }, -title = {Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models}, -journal = {The Journal of Chemical Physics}, -volume = {122}, -number = {10}, -pages = {104513}, -year = {2005}, -doi = {10.1063/1.1867373}, -URL = { https://doi.org/10.1063/1.1867373}, -eprint = { https://doi.org/10.1063/1.186737} -} + Author = {Cammi,R. and Corni,S. and Mennucci,B. and Tomasi,J.}, + Doi = {10.1063/1.1867373}, + Eprint = {https://doi.org/10.1063/1.186737}, + Journal = {The Journal of Chemical Physics}, + Number = {10}, + Pages = {104513}, + Title = {Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models}, + Url = {https://doi.org/10.1063/1.1867373}, + Volume = {122}, + Year = {2005}, + Bdsk-Url-1 = {https://doi.org/10.1063/1.1867373}} @article{Huu_2020, - title = {Antiadiabatic View of Fast Environmental Effects on Optical Spectra}, - author = {Phan Huu, D. K. Andrea and Dhali, Rama and Pieroni, Carlotta and Di Maiolo, Francesco and Sissa, Cristina and Terenziani, Francesca and Painelli, Anna}, - journal = {Phys. Rev. Lett.}, - volume = {124}, - issue = {10}, - pages = {107401}, - numpages = {5}, - year = {2020}, - month = {Mar}, - publisher = {American Physical Society}, - doi = {10.1103/PhysRevLett.124.107401}, - url = {https://link.aps.org/doi/10.1103/PhysRevLett.124.107401} -} + Author = {Phan Huu, D. K. Andrea and Dhali, Rama and Pieroni, Carlotta and Di Maiolo, Francesco and Sissa, Cristina and Terenziani, Francesca and Painelli, Anna}, + Doi = {10.1103/PhysRevLett.124.107401}, + Issue = {10}, + Journal = {Phys. Rev. Lett.}, + Month = {Mar}, + Numpages = {5}, + Pages = {107401}, + Publisher = {American Physical Society}, + Title = {Antiadiabatic View of Fast Environmental Effects on Optical Spectra}, + Url = {https://link.aps.org/doi/10.1103/PhysRevLett.124.107401}, + Volume = {124}, + Year = {2020}, + Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.124.107401}, + Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.124.107401}} diff --git a/Manuscript/BSE_JPCL.tex b/Manuscript/BSE_JPCL.tex index c66b431..0802dec 100644 --- a/Manuscript/BSE_JPCL.tex +++ b/Manuscript/BSE_JPCL.tex @@ -183,7 +183,7 @@ \begin{tocentry} \centering - \includegraphics[width=\textwidth]{../TOC/TOC} + \includegraphics[width=0.9\textwidth]{../TOC/TOC} \end{tocentry} diff --git a/TOC/TOC.pdf b/TOC/TOC.pdf index 3d929db7c55d8218bcc9ed822f81ee30c2083791..815503f640c5faec0243e0024648b567ad0108c6 100644 GIT binary patch delta 22770 zcmV(%K;pl?qXoU11&|{GGcuE*hADsLSWRymHxRw+R}ei(2$mr^{5<61Hg=Jm6bb!+ zSv1{(i#I-gw3 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znvUmVZ8r&ut9|0B305tV-Np7jON8I1mk8$t$6@@rSWamFE9OI-Ct327aj;403I(zW z_y7Bvc;x=aW}mKBqhZ@iTtl8M*pun^%IC!AVW2t*!-1-(uYpl>6({|DJAp)Q1 zM-w7nxYdba}}orDarShfa|V>EYuGsm=~!1gfQ5Kg|HneHH=qq=E9;$xLF6_ zip=N+qUa=|*sM&jI-aaTs;sP*EUkG`Y&eo#3U9wr_0hnY^TMZiwJLfyp|35`D`S-^ zB9qcO,color=black] node [right,black] {\LARGE Fundamental gap} (GW) (GW) edge [->,color=black] node [right,black] {\LARGE Excitonic effect} (BSE) - (BSE) edge [->,color=black] node [above,black] {} (phys) - (BSE) edge [->,color=black] node [above,black] {} (chem) - (BSE) edge [->,color=black] node [above,black] {} (bio) +% (BSE) edge [->,color=black] node [above,black] {} (phys) +% (BSE) edge [->,color=black] node [above,black] {} (chem) +% (BSE) edge [->,color=black] node [above,black] {} (bio) ;