References
- C.D. Thomas, A. Cameron, R.E. Green, M. Bakkenes, L.J. Beaumont, Y.C. Collingham, B.F.N. Erasmus, M.F. de Siqueira, A. Grainger, L. Hannah, L. Hughes, B. Huntley, A.S. van Jaarsveld, G.F. Midgley, L. Miles, M.A. Ortega-Huerta, A. Townsend Peterson, O.L. Phillips and S.E. Williams, Nature427 (6970), 145–148 (2004). doi: 10.1038/nature02121
- C. Li, F. Wang and C. Yu, Energy Environ. Sci. 4, 100–113 (2011). doi: 10.1039/C0EE00162G
- J.L. Bredas, J.E. Norton, J. Cornil and V. Coropceanu, Acc. Chem. Res. 42 (11), 1691–1699 (2009). doi: 10.1021/ar900099h
- M.B. Smith and J. Michl, Chem. Rev. 110 (11), 6891–6936 (2010). doi: 10.1021/cr1002613
- J. Lee, P. Jadhav, P.D. Reusswig, S.R. Yost, N.J. Thompson, D.N. Congreve, E. Hontz, T. van Voorhis and M.A. Baldo, Acc. Chem. Res. 46 (6), 1300–1311 (2013). doi: 10.1021/ar300288e
- A. Rao and R.H. Friend, Nat. Mater. 2 (11), 17063 (2017). doi: 10.1038/natrevmats.2017.63
- A.J. Nozik, R.J. Ellingson, O.I. Micic, J.L. Blackburn, P. Yu, J.E. Murphy, M.C. Beard and G. Rumbles, in Proceedings of the 27th DOE Solar Photochemistry Research Conference (Warrenton, Virginia), pp. 63–66.
- M.C. Hanna and A.J. Nozik, J. Appl. Phys. 100, 074510 (2006). doi: 10.1063/1.2356795
- M.H. Futscher, A. Rao and B. Ehrler, ACS Energy Lett. 3 (10), 2587–2592 (2018). doi: 10.1021/acsenergylett.8b01322
- B. Ehrler, M.W.B. Wilson, A. Rao, R.H. Friend and N.C. Greenham, Nano Lett. 12 (2), 1053–1057 (2012). doi: 10.1021/nl204297u
- P.D. Reusswig, D.N. Congreve, N.J. Thompson and M.A. Baldo, Appl. Phys. Lett. 101, 113304 (2012). doi: 10.1063/1.4752445
- I. Paci, J.C. Johnson, X. Chen, G. Rana, D. Popovia, D.E. David, A.J. Nozik, M.A. Ratner and J. Michl, J. Am. Chem. Soc. 128 (51), 16546–16553 (2006). doi: 10.1021/ja063980h
- L.E.A. Suarez, R.K. Kathir, E. Siagri, R.W.A. Havenith and S. Faraji, Adv. Quant. Chem. 79, 263–287 (2019). doi: 10.1016/bs.aiq.2019.05.004
- D. Casanova, Chem. Rev. 118 (15), 7164–7207 (2018). doi: 10.1021/acs.chemrev.7b00601
- J.M. Herbert, X. Zhang, A.F. Morrison and J. Liu, Acc. Chem. Res. 49 (5), 931–941 (2016). doi: 10.1021/acs.accounts.6b00047
- N. Elfers, I. Lyskov, J.D. Spiegel and C.M. Marian, J. Phys. Chem. C 120 (26), 13901–13910 (2016). doi: 10.1021/acs.jpcc.6b02263
- P.M. Zimmerman, F. Bell, D. Casanova and M. Head-Gordon, J. Am. Chem. Soc. 133 (49), 19944–19952 (2011). doi: 10.1021/ja208431r
- P.M. Zimmerman, C.B. Musgrave and M. Head-Gordon, Acc. Chem. Res. 46 (6), 1339–1347 (2013). doi: 10.1021/ar3001734
- A.F. Morrison and J.M. Herbert, J. Chem. Phys 146, 224110 (2017). doi: 10.1063/1.4985607
- R.W.A. Havenith, H.D. de Gier and R. Broer, Mol. Phys. 110 (1920), 2445–2454 (2012). doi: 10.1080/00268976.2012.695810
- M. Wibowo, R. Broer and R.W.A. Havenith, Comput. Theor. Chem. 1116, 190–194 (2017). doi: 10.1016/j.comptc.2017.03.013
- S.R. Yost, J. Lee, M.W. Wilson, T. Wu, D.P. McMahon, R.R. Parkhurst, N.J. Thompson, D.N. Congreve, A. Rao, K. Johnson and M.Y. Sfeir, Nature Chem. 6, 492–497 (2014). doi: 10.1038/nchem.1945
- F. Plasser, M. Wormit and A. Dreuw, J. Chem. Phys. 141, 024106 (2014).
- F. Plasser, S.A. Bappler, M. Wormit and A. Dreuw, J. Chem. Phys. 141, 024107 (2014).
- N. Geacintov, M. Pope and F. Vogel, Phys. Rev. Lett. 22 (12), 593–596 (1969). doi: 10.1103/PhysRevLett.22.593
- R.P. Groff, P. Avakian and R.E. Merrifield, Phys. Rev. B 1 (2), 815–817 (1970). doi: 10.1103/PhysRevB.1.815
- J.J. Burdett, A.M. Müller, D. Gosztola and C.J. Bardeen, J. Chem. Phys. 133, 144506 (2010). doi: 10.1063/1.3495764
- A.F. Morrison and J.M. Herbert, Phys. Chem. Lett. 8 (7), 1442–1448 (2017). doi: 10.1021/acs.jpclett.7b00230
- X. Feng, A.V. Luzanov and A.I. Krylov, J. Phys. Chem. Lett. 4 (22), 3845–3852 (2013). doi: 10.1021/jz402122m
- C Ullrich, Time-Dependent Density-Functional Theory. Concepts and Applications, Oxford Graduate Texts (Oxford University Press, Great Britain, 2012).
- S.A. Mewes, F. Plasser, A.I. Krylov and A. Dreuw, J. Chem. Theory Comput. 14 (2), 710–725 (2018). doi: 10.1021/acs.jctc.7b01145
- S.A. Bäppler, F. Plasser, M. Wormit and A. Dreuw, Phys. Rev. A 90, 052521 (2014). doi: 10.1103/PhysRevA.90.052521
- S.A. Mewes and A. Dreuw, Phys. Chem. Chem. Phys. 21, 2843–2856 (2019). doi: 10.1039/C8CP07191H
- S.A. Mewes and J.M. Mewes, Phys. Chem. Chem. Phys. 18, 2548–2563 (2016). doi: 10.1039/C5CP07077E
- F. Plasser, ChemRxiv, 10.26434/chemrxiv.11395314.v1 (2019).
- F. Plasser, B. Thomitzni, S.A. Bäppler, J. Wenzel, D.R. Rehn, M. Wormit and A. Dreuw, J. Comp. Chem. 36, 1609–1620 (2015). doi: 10.1002/jcc.23975
- P. Kimber and F. Plasser, Phys. Chem. Chem. Phys. 22, 6058–6080 (2020). doi: 10.1039/D0CP00369G
- S.A. Mewes, F. Plasser and A. Dreuw, J. Phys. Chem. Lett. 8 (6), 1205–1210 (2017). doi: 10.1021/acs.jpclett.7b00157
- C.H. Yang and C.P. Hsu, J. Phys. Chem. Lett. 6 (10), 1925–1929 (2015). doi: 10.1021/acs.jpclett.5b00437
- E.A. Buchanan, Z. Havlas and J. Michl, Adv. Quant. Chem. 75, 175–227 (2017). doi: 10.1016/bs.aiq.2017.03.005
- T.P. Straatsma, R. Broer, S. Faraji and R.W.A. Havenith, Annu. Rep. Comput. Chem. 14, 77–91 (2018). doi: 10.1016/bs.arcc.2018.06.003
- Z.Q. You and C.P. Hsu, Int. J. Quantum Chem. 114, 102–115 (2014). doi: 10.1002/qua.24528
- S. Grimme, J. Comp. Chem. 27, 1787 (2006). doi: 10.1002/jcc.20495
- A. Dreuw and M. Wormit, Comput. Mol. Sci. 5, 82–95 (2015). doi: 10.1002/wcms.1206
- Y. Shao, Z. Gan, E. Epifanovsky, A.T. Gilbert, M. Wormit, J. Kussmann, A.W. Lange, A. Behn, J. Deng, X. Feng and D. Ghosh, Mol. Phys. 113, 184–215 (2015). doi: 10.1080/00268976.2014.952696
- F. Plasser, TheoDORE: a package for theoretical density, orbital relaxation and exciton analysis. <http://theodore-qc.sourceforge.net>.
- M.F. Guest, I.J. Bush, H. van Dam, P. Sherwood, J. Thomas, J. van Lenthe, R.W.A. Havenith and J. Kendrick, Mol. Phys. 103 (6–8), 719–747 (2005). doi: 10.1080/00268970512331340592
- F. Plasser, S.A. Mewes, A. Dreuw and L. González, J. Chem. Theory Comput. 13 (11), 5343–5353 (2017). doi: 10.1021/acs.jctc.7b00718
- S. Grimme and M. Parac, Chem. Phys. Chem. 4, 292–295 (2003). doi: 10.1002/cphc.200390047
- H.B. Klevens and J.R. Platt, J. Chem. Phys. 17 (5), 470–481 (1949). doi: 10.1063/1.1747291
- M.J.G. Peach, P. Benfield, T. Helgaker and D.J. Tozer, J. Chem. Phys. 128, 044118 (2008). doi: 10.1063/1.2831900
- S.A. Mewes, F. Plasser and A. Dreuw, J. Chem. Phys. 143, 171101 (2015). doi: 10.1063/1.4935178
- T. Yanai, D.P. Tew and N.C. Handy, Chem. Phys. Lett. 393, 51–57 (2004). doi: 10.1016/j.cplett.2004.06.011
- J.D. Chai and M. Head-Gordon, Phys. Chem. Chem. Phys. 10, 6615–6620 (2008). doi: 10.1039/b810189b
- H. Yamagata, J. Norton, E. Hontz, Y. Olivier, D. Beljonne, J.L. Bredas, R. Silbey and F. Spano, J. Chem. Phys. 134, 204703 (2011). doi: 10.1063/1.3590871