abstract
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%% This BibTeX bibliography file was created using BibDesk.
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%% http://bibdesk.sourceforge.net/
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%% Created for Pierre-Francois Loos at 2020-05-25 11:57:31 +0200
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%% Created for Pierre-Francois Loos at 2020-05-26 17:26:29 +0200
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%% Saved with string encoding Unicode (UTF-8)
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@ -2002,9 +2002,9 @@
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@article{Schirmer_1982,
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Author = {Jochen Schirmer},
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Date-Added = {2020-05-18 21:40:28 +0200},
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Date-Modified = {2020-05-18 21:40:28 +0200},
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Date-Modified = {2020-05-26 17:17:22 +0200},
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Doi = {10.1103/PhysRevA.26.2395},
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Journal = PRA,
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Journal = {Phys. Rev. A},
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Pages = {2395--2416},
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Title = {Beyond the Random-Phase Approximation: a new Approximation Scheme for the Polarization Propagator},
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Volume = 26,
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@ -14435,128 +14435,113 @@
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Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.93.235113},
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Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevB.93.235113}}
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%%% PCM and QM/MM
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@article{Baumeier_2014,
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author = {Baumeier, Björn and Rohlfing, Michael and Andrienko, Denis},
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title = {Electronic Excitations in Push–Pull Oligomers and Their Complexes with Fullerene from Many-Body Green’s Functions Theory with Polarizable Embedding},
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journal = { J. Chem. Theory Comput. },
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volume = {10},
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number = {8},
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pages = {3104-3110},
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year = {2014},
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doi = {10.1021/ct500479f},
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note ={PMID: 26588281},
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URL = { https://doi.org/10.1021/ct500479f},
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eprint = { https://doi.org/10.1021/ct500479f}
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}
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Author = {Baumeier, Bj{\"o}rn and Rohlfing, Michael and Andrienko, Denis},
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Doi = {10.1021/ct500479f},
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Eprint = {https://doi.org/10.1021/ct500479f},
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Journal = {J. Chem. Theory Comput.},
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Note = {PMID: 26588281},
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Number = {8},
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Pages = {3104-3110},
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Title = {Electronic Excitations in Push--Pull Oligomers and Their Complexes with Fullerene from Many-Body Green's Functions Theory with Polarizable Embedding},
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Url = {https://doi.org/10.1021/ct500479f},
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Volume = {10},
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Year = {2014},
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Bdsk-Url-1 = {https://doi.org/10.1021/ct500479f}}
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@article{Duchemin_2016,
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author = {Duchemin,Ivan and Jacquemin,Denis and Blase,Xavier },
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title = {Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach},
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journal = { J. Chem. Phys. },
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volume = {144},
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number = {16},
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pages = {164106},
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year = {2016},
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doi = {10.1063/1.4946778},
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URL = { https://doi.org/10.1063/1.4946778},
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eprint = { https://doi.org/10.1063/1.4946778}
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}
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Author = {Duchemin,Ivan and Jacquemin,Denis and Blase,Xavier},
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Doi = {10.1063/1.4946778},
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Eprint = {https://doi.org/10.1063/1.4946778},
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Journal = {J. Chem. Phys.},
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Number = {16},
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Pages = {164106},
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Title = {Combining the GW formalism with the polarizable continuum model: A state-specific non-equilibrium approach},
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Url = {https://doi.org/10.1063/1.4946778},
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Volume = {144},
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Year = {2016},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.4946778}}
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@article{Li_2016,
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author = {Li, Jing and D’Avino, Gabriele and Duchemin, Ivan and Beljonne, David and Blase, Xavier},
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title = {Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids},
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journal = { J. Phys. Chem. Lett. },
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volume = {7},
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number = {14},
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pages = {2814-2820},
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year = {2016},
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doi = {10.1021/acs.jpclett.6b01302},
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note ={PMID: 27388926},
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URL = { https://doi.org/10.1021/acs.jpclett.6b01302},
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eprint = { https://doi.org/10.1021/acs.jpclett.6b01302}
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}
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Author = {Li, Jing and D'Avino, Gabriele and Duchemin, Ivan and Beljonne, David and Blase, Xavier},
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Doi = {10.1021/acs.jpclett.6b01302},
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Eprint = {https://doi.org/10.1021/acs.jpclett.6b01302},
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Journal = {J. Phys. Chem. Lett.},
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Note = {PMID: 27388926},
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Number = {14},
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Pages = {2814-2820},
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Title = {Combining the Many-Body GW Formalism with Classical Polarizable Models: Insights on the Electronic Structure of Molecular Solids},
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Url = {https://doi.org/10.1021/acs.jpclett.6b01302},
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Volume = {7},
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Year = {2016},
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Bdsk-Url-1 = {https://doi.org/10.1021/acs.jpclett.6b01302}}
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@article{Varsano_2016,
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doi = {10.1088/0953-8984/29/1/013002},
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url = {https://doi.org/10.1088%2F0953-8984%2F29%2F1%2F013002},
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year = 2016,
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month = {nov},
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publisher = {{IOP} Publishing},
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volume = {29},
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number = {1},
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pages = {013002},
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author = {Daniele Varsano and Stefano Caprasecca and Emanuele Coccia},
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title = {Theoretical description of protein field effects on electronic excitations of biological chromophores},
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journal = {J. Phys.: Cond. Matt.},
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}
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@Article{Duchemin_2018,
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author ="Duchemin, Ivan and Guido, Ciro A. and Jacquemin, Denis and Blase, Xavier",
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title ="The Bethe–Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features",
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journal ="Chem. Sci.",
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year ="2018",
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volume ="9",
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issue ="19",
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pages ="4430-4443",
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publisher ="The Royal Society of Chemistry",
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doi ="10.1039/C8SC00529J",
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url ="http://dx.doi.org/10.1039/C8SC00529J"
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}
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Author = {Daniele Varsano and Stefano Caprasecca and Emanuele Coccia},
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Doi = {10.1088/0953-8984/29/1/013002},
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Journal = {J. Phys.: Cond. Matt.},
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Month = {nov},
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Number = {1},
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Pages = {013002},
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Publisher = {{IOP} Publishing},
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Title = {Theoretical description of protein field effects on electronic excitations of biological chromophores},
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Url = {https://doi.org/10.1088%2F0953-8984%2F29%2F1%2F013002},
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Volume = {29},
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Year = 2016,
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Bdsk-Url-1 = {https://doi.org/10.1088%2F0953-8984%2F29%2F1%2F013002},
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Bdsk-Url-2 = {https://doi.org/10.1088/0953-8984/29/1/013002}}
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@article{Duchemin_2018,
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Author = {Duchemin, Ivan and Guido, Ciro A. and Jacquemin, Denis and Blase, Xavier},
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Doi = {10.1039/C8SC00529J},
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Issue = {19},
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Journal = {Chem. Sci.},
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Pages = {4430-4443},
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Publisher = {The Royal Society of Chemistry},
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Title = {The Bethe--Salpeter formalism with polarisable continuum embedding: reconciling linear-response and state-specific features},
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Url = {http://dx.doi.org/10.1039/C8SC00529J},
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Volume = {9},
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Year = {2018},
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Bdsk-Url-1 = {http://dx.doi.org/10.1039/C8SC00529J}}
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@article{Tirimbo_2020,
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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. },
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title = {Excited-state electronic structure of molecules using many-body Green’s functions: Quasiparticles and electron–hole excitations with VOTCA-XTP},
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journal = { J. Chem. Phys. },
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volume = {152},
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number = {11},
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pages = {114103},
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year = {2020},
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doi = {10.1063/1.5144277},
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URL = { https://doi.org/10.1063/1.5144277},
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eprint = { https://doi.org/10.1063/1.5144277}
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}
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@Article{Li_2019,
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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",
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title ="Host dependence of the electron affinity of molecular dopants",
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journal ="Mater. Horiz.",
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year ="2019",
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volume ="6",
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issue ="1",
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pages ="107-114",
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publisher ="The Royal Society of Chemistry",
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doi ="10.1039/C8MH00921J",
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url ="http://dx.doi.org/10.1039/C8MH00921J"
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}
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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.},
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Doi = {10.1063/1.5144277},
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Eprint = {https://doi.org/10.1063/1.5144277},
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Journal = {J. Chem. Phys.},
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Number = {11},
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Pages = {114103},
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Title = {Excited-state electronic structure of molecules using many-body Green's functions: Quasiparticles and electron--hole excitations with VOTCA-XTP},
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Url = {https://doi.org/10.1063/1.5144277},
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Volume = {152},
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Year = {2020},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.5144277}}
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@article{Cammi_2005,
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author = {Cammi,R. and Corni,S. and Mennucci,B. and Tomasi,J. },
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title = {Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models},
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journal = {The Journal of Chemical Physics},
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volume = {122},
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number = {10},
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pages = {104513},
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year = {2005},
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doi = {10.1063/1.1867373},
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URL = { https://doi.org/10.1063/1.1867373},
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eprint = { https://doi.org/10.1063/1.186737}
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}
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Author = {Cammi,R. and Corni,S. and Mennucci,B. and Tomasi,J.},
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Doi = {10.1063/1.1867373},
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Eprint = {https://doi.org/10.1063/1.186737},
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Journal = {The Journal of Chemical Physics},
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Number = {10},
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Pages = {104513},
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Title = {Electronic excitation energies of molecules in solution: State specific and linear response methods for nonequilibrium continuum solvation models},
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Url = {https://doi.org/10.1063/1.1867373},
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Volume = {122},
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Year = {2005},
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Bdsk-Url-1 = {https://doi.org/10.1063/1.1867373}}
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@article{Huu_2020,
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title = {Antiadiabatic View of Fast Environmental Effects on Optical Spectra},
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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},
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journal = {Phys. Rev. Lett.},
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volume = {124},
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issue = {10},
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pages = {107401},
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numpages = {5},
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year = {2020},
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month = {Mar},
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publisher = {American Physical Society},
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doi = {10.1103/PhysRevLett.124.107401},
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url = {https://link.aps.org/doi/10.1103/PhysRevLett.124.107401}
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}
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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},
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Doi = {10.1103/PhysRevLett.124.107401},
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Issue = {10},
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Journal = {Phys. Rev. Lett.},
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Month = {Mar},
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Numpages = {5},
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Pages = {107401},
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Publisher = {American Physical Society},
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Title = {Antiadiabatic View of Fast Environmental Effects on Optical Spectra},
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Url = {https://link.aps.org/doi/10.1103/PhysRevLett.124.107401},
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Volume = {124},
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Year = {2020},
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Bdsk-Url-1 = {https://link.aps.org/doi/10.1103/PhysRevLett.124.107401},
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Bdsk-Url-2 = {https://doi.org/10.1103/PhysRevLett.124.107401}}
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\begin{tocentry}
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\centering
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\includegraphics[width=\textwidth]{../TOC/TOC}
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\includegraphics[width=0.9\textwidth]{../TOC/TOC}
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\end{tocentry}
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@ -53,21 +53,21 @@
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};
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\node [comp2, align=center] (phys) [left=of BSE, xshift=-2cm]
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{\LARGE Molecules};
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% \node [comp2, align=center] (phys) [left=of BSE, xshift=-2cm]
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% {\LARGE Molecules};
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\node [comp2, align=center] (chem) [below=of BSE, xshift=0cm]
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{\LARGE Materials};
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% \node [comp2, align=center] (chem) [below=of BSE, xshift=0cm]
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% {\LARGE Materials};
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\node [comp2, align=center] (bio) [right=of BSE, xshift=2cm]
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{\LARGE Clusters};
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% \node [comp2, align=center] (bio) [right=of BSE, xshift=2cm]
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% {\LARGE Clusters};
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\path
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(KS) edge [->,color=black] node [right,black] {\LARGE Fundamental gap} (GW)
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(GW) edge [->,color=black] node [right,black] {\LARGE Excitonic effect} (BSE)
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(BSE) edge [->,color=black] node [above,black] {} (phys)
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(BSE) edge [->,color=black] node [above,black] {} (chem)
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(BSE) edge [->,color=black] node [above,black] {} (bio)
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% (BSE) edge [->,color=black] node [above,black] {} (phys)
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% (BSE) edge [->,color=black] node [above,black] {} (chem)
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% (BSE) edge [->,color=black] node [above,black] {} (bio)
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;
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