Investigating excited electronic states using the algebraic diagrammatic construction (ADC) approach of the polarisation propagator

References

• L. Gonzalez, D. Escudero, and L. Serrano-Andres, Chem. Phys. Chem. 13, 28 (2012).
   Web of Science ®Google Scholar
• P.H.P. Harbach and A. Dreuw, in Modeling of Molecular Properties, edited by P. Comba (Wiley-VCH, Weinheim, 2011), p. 29.
   Google Scholar
• A. Dreuw, Chem. Phys. Chem. 7, 2259 (2006).
   Web of Science ®Google Scholar
• S. Grimme, Rev. Comput. Chem. 20, 153 (2004).
   Web of Science ®Google Scholar
• M. Olivucci, editor, Computational Photochemistry (Elsevier Science B.V., Amsterdam, 2005).
   Google Scholar
• M. Garavelli, Theor. Chem. Acc. 116, 87 (2006).
   Web of Science ®Google Scholar
• W. Domcke, D.R. Yarkony, and H. Köppel, editors, Conical Intersections (World Scientific, Singapore, 2004).
   Google Scholar
• E. Runge and E.K.U. Gross, Phys. Rev. Lett. 52, 997 (1984).
   Web of Science ®Google Scholar
• M.E. Casida, in Recent Advances in Density Functional Methods, Part I, edited by D.P. Chong (World Scientific, Singapore, 1995), pp. 155–192.
   Google Scholar
• A. Dreuw and M. Head-Gordon, Chem. Rev. 105, 4009 (2005).
   PubMed Web of Science ®Google Scholar
• P.J. Hay, J. Phys. Chem. A 106, 1634 (2002).
   Web of Science ®Google Scholar
• M.K. Nazeeruddin, F. De Angelis, S. Fantacci, A. Selloni, G. Viscardi, P. Liska, S. Ito, B. Takeru, and M. Grätzel, J. Am. Chem. Soc. 127, 16835 (2005).
   PubMed Web of Science ®Google Scholar
• P.W. S. Suramitr, W. Meeto, and S. Hannongbua, Theor. Chem. Acc. 125, 35 (2010).
   Web of Science ®Google Scholar
• M. Wormit and A. Dreuw, Phys. Chem. Chem. Phys. 9, 2917 (2007).
   PubMed Web of Science ®Google Scholar
• A. Dreuw, J.L. Weisman, and M. Head-Gordon, J. Chem. Phys. 119, 2943 (2003).
   Web of Science ®Google Scholar
• D.J. Tozer, J. Chem. Phys. 119, 12697 (2003).
   Web of Science ®Google Scholar
• J.H. Starcke, M. Wormit, J. Schirmer, and A. Dreuw, Chem. Phys. 329, 39 (2006).
   Web of Science ®Google Scholar
• T. Yanai, D.P. Tew, and N.C. Handy, Chem. Phys. Lett. 393, 51 (2004).
   Web of Science ®Google Scholar
• Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai, and K. Hirao, J. Chem. Phys. 120, 8425 (2004).
   PubMed Web of Science ®Google Scholar
• M.A. Rohrdanz, K.M. Martins, and J.M. Herbert, J. Chem. Phys. 130, 054112 (2009).
   PubMed Web of Science ®Google Scholar
• J.D. Chai and M. Head-Gordon, Phys. Chem. Chem. Phys. 10, 6615 (2008).
   PubMed Web of Science ®Google Scholar
• O.A. Vydrov and G.E. Scuseria, J. Chem. Phys. 125(23), 234109 (2006).
   PubMed Web of Science ®Google Scholar
• T. Stein, L. Kronik, and R. Baer, J. Am. Chem. Soc. 131, 2818 (2009).
   PubMed Web of Science ®Google Scholar
• J. Plötner, D.J. Tozer, and A. Dreuw, J. Chem. Theor. Comput. 6, 2351 (2010).
   Web of Science ®Google Scholar
• S. Grimme, J. Chem. Phys. 124, 034108 (2006).
   PubMed Web of Science ®Google Scholar
• M.E. Casida, J. Chem. Phys. 122, 054111 (2005).
   PubMed Web of Science ®Google Scholar
• R.G. Parr and W. Yang, Density-Functional Theory of Atoms and Molecules (Oxford Science Publication, New York, 1989).
   Google Scholar
• D. Hegarthy and M.A. Robb, Mol. Phys. 38, 1795 (1979).
   Web of Science ®Google Scholar
• R.H.E. Eade and M.A. Robb, Chem. Phys. Lett. 83, 362 (1981).
   Web of Science ®Google Scholar
• H. Nakatsuji and K. Hirao, J. Chem. Phys. 68, 2053 (1978).
   Web of Science ®Google Scholar
• O. Christiansen, H. Koch, and P. Jørgensen, J. Chem. Phys. 103, 7429 (1995).
   Web of Science ®Google Scholar
• H. Koch, O. Christiansen, P. Jørgensen, T. Helgaker, and A.S. de Meras, J. Chem. Phys. 106, 1808 (1997).
   Web of Science ®Google Scholar
• C. Haettig and F. Weigend, J. Chem. Phys. 113, 5154 (2000).
   Web of Science ®Google Scholar
• C. Haettig, Adv. Quantum Chem. 50, 37 (2005).
   Web of Science ®Google Scholar
• E.S. Nielsen, P. Jørgensen, and J. Oddershede, J. Chem. Phys. 73, 6238 (1980).
   Web of Science ®Google Scholar
• S.P.A. Sauer, J. Phys. B 30, 3773 (1997).
   Web of Science ®Google Scholar
• J.J. Eriksen, S. Sauer, K.V. Mikkelsen, H.J.A. Jensen, and J. Kongsted, J. Comput. Chem. 33, 2012 (2013).
   Web of Science ®Google Scholar
• J. Schirmer, Phys. Rev. A 26, 2395 (1982).
   Web of Science ®Google Scholar
• A.B. Trofimov and J. Schirmer, J. Phys. B 28, 2299 (1995).
   Web of Science ®Google Scholar
• J.H. Starcke, M. Wormit, and A. Dreuw, J. Chem. Phys. 130, 024104 (2009).
   PubMed Web of Science ®Google Scholar
• J. Schirmer, Phys. Rev. A 43, 4647 (1991).
   PubMed Web of Science ®Google Scholar
• J. Schirmer and A.B. Trofimov, J. Chem. Phys. 120, 11449 (2004).
   PubMed Web of Science ®Google Scholar
• A.B. Trofimov, G. Stelter, and J. Schirmer, J. Chem. Phys. 111, 9982 (1999).
   Web of Science ®Google Scholar
• P.R. Monson and W.M. McClain, J. Chem. Phys. 53, 29 (1970).
   Web of Science ®Google Scholar
• P. Cronstrand, Y. Luo, and H. Ågren, in Response Theory and Molecular Properties (A Tribute to Jan Linderberg and Poul Jørgensen), edited by H.J.Å. Jensen, Advances in Quantum Chemistry (Academic Press, Waltham, MA, 2005), Vol. 50, pp. 1–21.
   Google Scholar
• Y. Shao, L.F. Molnar, Y. Jung, J. Kussmann, C. Ochsenfeld, S.T. Brown, A.T.B. Gilbert, L.V. Slipchenko, S.V. Levchenko, D.P. O’Neill, R.A. Distasio, Jr., R.C. Lochan, T. Wang, G.J.O. Beran, N.A. Besley, J.M. Herbert, C.Y. Lin, T.V. Voorhis, S.H. Chien, A. Sodt, R.P. Steele, V.A. Rassolov, P.E. Maslen, P.P. Korambath, R.D. Adamson, B. Austin, J. Baker, E.F.C. Byrd, H. Dachsel, R.J. Doerksen, A. Dreuw, B.D. Dunietz, A.D. Dutoi, T.R. Furlani, S.R. Gwaltney, A. Heyden, S. Hirata, C.P. Hsu, G. Kedziora, R.Z. Khalliulin, P. Klunzinger, A.M. Lee, M.S. Lee, W. Liang, I. Lotan, N. Nair, B. Peters, E.I. Proynov, P.A. Pieniazek, Y.M. Rhee, J. Ritchie, E. Rosta, C.D. Sherrill, A.C. Simmonett, J.E. Subotnik, H.L. Woodcock, III, W. Zhang, A.T. Bell, A.K. Chakraborty, D.M. Chipman, F.J. Keil, A. Warshel, W.J. Hehre, H.F. Schaefer III, J. Kong, A.I. Krylov, P.M.W. Gill, and M. Head-Gordon, Phys. Chem. Chem. Phys. 8, 3172 (2006).
   PubMed Web of Science ®Google Scholar
• A.I. Krylov and P.M. Gill, WIREs Comput. Mol. Sci. 3, 317 (2013).
   Web of Science ®Google Scholar
• E. Epifanovsky, M. Wormit, T. Kuś, A. Landau, D. Zuev, K. Khistyaev, P. Manohar, I. Kaliman, A. Dreuw, and A.I. Krylov, J. Comput. Chem. 34, 2293 (2013).
   PubMed Web of Science ®Google Scholar
• J. del Bene, R. Ditchfield, and J.A. Pople, J. Chem. Phys. 55, 2236 (1971).
   Web of Science ®Google Scholar
• O. Christiansen, H. Koch, and P. Jørgensen, Chem. Phys. Lett. 243, 409 (1995).
   Web of Science ®Google Scholar
• M. Head-Gordon, R.J. Rico, M. Oumi, and T.J. Lee, Chem. Phys. Lett. 219, 21 (1994).
   Web of Science ®Google Scholar
• M. Head-Gordon, A.M. Grana, D. Maurice, and C.A. White, J. Phys. Chem. 99, 14261 (1995).
   Web of Science ®Google Scholar
• H. Sekino and R.J. Bartlett, Int. J. Quantum Chem. Symposium 18, 255 (1984).
   Google Scholar
• J. Geertsen, M. Rittby, and R.J. Bartlett, Chem. Phys. Lett. 164, 57 (1989).
   Web of Science ®Google Scholar
• A.I. Krylov, Ann. Rev. Phys. Chem. 59, 433 (2008).
   PubMed Web of Science ®Google Scholar
• E.R. Davidson, J. Comput. Phys. 17, 87 (1975).
   Web of Science ®Google Scholar
• L.S. Cederbaum, W. Domcke, and J. Schirmer, Phys. Rev. A 22, 206 (1980).
   Web of Science ®Google Scholar
• O. Plekan, V. Feyer, R. Richter, M. Coreno, M. de Simone, K.C. Prince, A.B. Trofimov, E.V. Gromov, I.L. Zaytseva, and J. Schirmer, Chem. Phys. 347, 360 (2008).
   Web of Science ®Google Scholar
• A.B. Trofimov, T.E. Moskovskaya, E.V. Gromov, H. Köppel, and J. Schirmer, Phys. Rev. A 64, 022504 (2001).
   Web of Science ®Google Scholar
• A.B. Trofimov, T.E. Moskovskaya, E.V. Gromov, N.M. Vitkovskaya, and J. Schirmer, J. Struct. Chem. 41, 483 (2000).
   Web of Science ®Google Scholar
• T. Fransson, S. Coriani, O. Christiansen, and P. Norman, J. Chem. Phys. 124311, 138 (2013).
   Google Scholar
• S. Grimme, J. Chem. Phys. 118, 9095 (2003).
   Web of Science ®Google Scholar
• R.F. Fink, J. Chem. Phys. 133, 174113 (2010).
   PubMed Web of Science ®Google Scholar
• S. Grimme, L. Goerigk, and R.F. Fink, WIREs Comput. Mol. Sci. 2, 886 (2012).
   Web of Science ®Google Scholar
• Y. Jung, R.C. Lochan, A.D. Dutoi, and M. Head-Gordon, J. Chem. Phys. 121, 9793 (2004).
   PubMed Web of Science ®Google Scholar
• S. Grimme and E. Izgorodina, Chem. Phys. 305, 223 (2004).
   Web of Science ®Google Scholar
• Y.M. Rhee and M. Head-Gordon, J. Phys. Chem. A 113, 10564 (2009).
   PubMed Web of Science ®Google Scholar
• M. Head-Gordon, M. Oumi, and D. Maurice, Mol. Phys. 96, 593 (1999).
   Web of Science ®Google Scholar
• D. Casanova, Y.M. Rhee, and M. Head-Gordon, J. Chem. Phys. 128, 164106 (2008).
   PubMed Web of Science ®Google Scholar
• Y.M. Rhee, D. Casanova, and M. Head-Gordon, J. Phys. Chem. A 111, 5314 (2007).
   PubMed Web of Science ®Google Scholar
• A. Hellweg, S.A. Grün, and C. Hättig, Phys. Chem. Chem. Phys. 10, 4119 (2008).
   PubMed Web of Science ®Google Scholar
• N.O. Winter and C. Hättig, J. Chem. Phys. 134, 184101 (2011).
   PubMed Web of Science ®Google Scholar
• C.M. Krauter, M. Pernpointner, and A. Dreuw, J. Chem. Phys. 138, 044107 (2013).
   PubMed Web of Science ®Google Scholar
• TURBOMOLE V6.2 2010 (TURBOMOLE GmbH, University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 2007). http://www.turbomole.com.
   Google Scholar
• M. Schreiber, M.R. Silva-Junior, S.P.A. Sauer, and W. Thiel, J. Chem. Phys. 128, 134110 (2008).
   PubMed Web of Science ®Google Scholar
• M. Head-Gordon, D. Maurice, and M. Oumi, Chem. Phys. Lett. 246, 114 (1995).
   Web of Science ®Google Scholar
• W. Humphrey, A. Dalke, and K. Schulten, J. Mol. Graph. 14, 33 (1996).
   PubMed Web of Science ®Google Scholar
• F. Aquilante, L. Boman, J. Boström, H. Koch, R. Lindh, A. Sánchez de Merás, and T.B. Pedersen, Challenges Adv. Comput. Chem. Phys. 13, 301 (2011).
   Google Scholar