References
- T.H. Maiman, Nature 187, 439 (1960).
- P.A. Franken, A.E. Hill, C.W. Peters, and G. Weinreich, Phys. Rev. Lett. 7, 118 (1961).
- S.R. Marder, J.E. Sohn, and G.D. Stucky, in Proceedings of the ACS Symposium, edited by S.R. Marder, J.E. Sohn, and G.D. Stucky (American Chemical Society, Washington, DC, 1991).
- R.W. Boyd, Nonlinear Optics (Academic Press, New York, 1992).
- S.R. Marder, Chem. Commun. 2, 131 (2006).
- M. Irie, Chem. Rev. 100, 1685 (2000).
- S. Kawata and Y. Kawata, Chem. Rev 100, 1777 (2000).
- H. Tian and S. Yang, Chem. Soc. Rev. 33, 85 (2004).
- A.S. Dvornikov, E.P. Walker, and P.M. Rentzepis, J. Phys. Chem. A 113, 13633 (2009).
- H. Kurtz and D. Dudis, Rev. Comput. Chem. 12, 241 (1998).
- H. Sekino and R.J. Bartlett, J. Chem. Phys. 98, 3022 (1993).
- E. Cancès, M. Defranceschi, W. Kutzelnigg, C. Le Bris, and Y. Maday, in Handbook of Numerical Analysis : Special Volume: Computational Chemistry, edited by P.G. Ciarlet and C. Le Bris (Elsevier, Amsterdam, 2003), Vol X, pp. 215–220.
- A. Willets, J.E. Rice, D.M. Burland, and D. Shelton, J. Chem. Phys. 97, 7590 (1992).
- P. Norman and K. Ruud, in Nonlinear Optical Properties of Matter: From Molecules to Condensed Phases, edited by M.G. Papadopoulos, A.J. Sadlej, and J. Leszczynski; (Springer, Dordrecht, 2006).
- C.J. Cramer, Essentials of Computational Chemistry, 2nd ed. (Wiley, London, 2004).
- D.M. Bishop and B. Kirtman, J. Chem. Phys. 95, 2646 (1991).
- J.L. Brédas, C. Adant, P. Tackx, A. Persoons, and B.M. Pierce, Chem. Rev. 94, 243 (1994).
- J.L. Oudar and D.S. Chemla, J. Chem. Phys. 66, 2664 (1977).
- M. Hurst and R.W. Munn, in Organic Materials for Nonlinear Optics, edited by R.A. Hann and D. Bloor (The Royal Society of Chemistry, London, 1989).
- D.R. Kanis, M.A. Ratner, and T.J. Marks, Chem. Rev. 94, 195 (1994).
- G. Ramakrishna and T. Goodson III, J. Phys. Chem. A 111, 993 (2007).
- S. Chakrabarti and K. Ruud, Phys. Chem. Chem. Phys. 11, 2592 (2009).
- A. Savin and H. Flad, Int. J. Quantum Chem. 56, 327 (1995).
- H. Iikura, T. Tsuneda, T. Yanai, and K. Hirao, J. Chem. Phys. 115, 3540 (2001).
- T. Yanai, D.P. Tew, and N.C. Handy, Chem. Phys. Lett. 393, 51 (2004).
- O.A. Vydrov, J. Heyd, A.V. Krukau, and G.E. Scuseria, J. Chem. Phys. 125, 074106 (2006).
- O.A. Vydrov and G.E. Scuseria, J. Chem. Phys. 125, 234109 (2006).
- D. Jacquemin, E.A. Perpète, O.A. Vydrov, G.E. Scuseria, and C. Adamo, J. Chem. Phys. 127, 094102 (2007).
- B. Champagne, E.A. Perpete, S.J.A. van Gisbergen, E.J. Baerends, J.G. Snijders, C. Soubra-Ghaoui, K.A. Robins, and B. Kirtman, J. Chem. Phys. 109, 10489 (1998).
- B. Champagne, E.A. Perpete, D. Jacquemin, S.J.A. van Gisbergen, E.J. Baerends, C. Soubra-Ghaoui, K.A. Robins, and B. Kirtman, J. Chem. Phys. 104, 4755 (2000).
- O. Loboda, R. Zaleśny, A. Avramopoulos, J.M. Luis, B. Kirtman B, N. Tagmatarchis, H. Reis, and M.G. Papadopoulos, J. Phys. Chem. A 113, 1159 (2009).
- M. van Faassen, R. de Boeij, P.L. van Leeuwen, J.A. Berger, and J.G. Snijders, J. Chem. Phys. 118, 1044 (2003).
- B. Kirtman, V. Lacivita, R. Dovesi, and H. Reis, J. Chem. Phys. 135, 154101 (2011).
- Y. Tawada, T. Tsuneda, S. Yanagisawa, T. Yanai, and K. Hirao, J. Chem. Phys. 120, 8425 (2004).
- M. Kamiya, H. Sekino, T. Tsuneda T, and K. Hirao, J. Chem. Phys. 122, 234111 (2005).
- D. Jacquemin, E.A. Perpète, G.E. Scuseria, I. Ciofini, and C. Adamo, J. Chem. Theory Comput. 4, 123 (2008).
- E.A. Perpète, D. Jacquemin, C. Adamo, and G.E. Scuseria, Chem. Phys. Lett. 456, 101 (2008).
- D. Jacquemin, E.A. Perpète, G.E. Scuseria, I. Ciofini, and C. Adamo, Chem. Phys. Lett. 465, 226 (2008).
- J. Song, M.A. Watson, H. Sekino, and K. Hirao, J. Chem. Phys. 129, 024117 (2008).
- R. Zaleśny, I.W. Bulik, W. Bartkowiak, J.M. Luis, A. Avramopoulos, M.G. Papadopoulos, and P. Krawczyk, J. Chem. Phys. 133, 244308 (2010).
- M. de Wergifosse and B. Champagne, J. Chem. Phys. 134, 074113 (2011).
- D. Jacquemin, E.A. Perpète, M. Medved, G. Scalmani, M.J. Frisch, R. Kobayashi, and C. Adamo,; J. Chem. Phys. 126, 191108 (2007).
- K.A. Nguyen, J.E. Rogers, J.E. Slagle, P.N. Day, R. Kannan, L. Tan, P.A. Fleitz, and R. Pachter, J. Phys. Chem. A 110, 13172 (2006).
- A.J. Garza, G.E. Scuseria, S.B. Khan, and A.M. Asiri, Chem. Phys. Lett. 575, 122 (2013).
- A.M. Asiri, H.M. Faidallah, M.E.M. Zayed, S.W. Ng, and E.R.T. Tiekink, Acta Crystallogr. E68, o2190 (2012).
- A.M. Asiri, H.M. Faidallah, K.A. Alamry, S.W. Ng, and E.R.T. Tiekink, Acta Crystallogr. E68, o2198 (2012).
- M. Stäehlin, C.R. Moylan, D.M. Burland, A. Willets, J.E. Rice, D.P. Shelton, and E.A. Donley, J. Chem. Phys. 98, 5595 (1993).
- H. Reis, J. Chem. Phys. 125, 014506 (2006).
- T. Le Bahers, C. Adamo, and I. Ciofini, J. Chem. Theory Comput. 7, 2498 (2011).
- T. Stein, L. Kronik, and R. Baer, J. Am. Chem. Soc. 131, 2818 (2009).
- T. Stein, L. Kronik, and R. Baer, J. Chem. Phys. 131, 244119 (2009).
- A. Karolewski, T. Stein, and S. Kümmel, J. Chem. Phys. 134, 151101 (2011).
- L. Pandey, C. Doiron, J.S. Sears, and J. Brédas, Phys. Chem. Chem. Phys. 14, 14243 (2012).
- A.J. Garza, O.I. Osman, G.E. Scuseria, N.A. Wazzan, S.B. Khan, and A.M. Asiri, Theor. Chem. Acc. 133, 1458 (2014).
- M.J. Frisch, G.W. Trucks, H.B. Schlegel, G.E. Scuseria, M.A. Robb, J.R. Cheeseman, G. Scalmani, V. Barone, B. Mennucci, G.A. Petersson, H. Nakatsuji, M. Caricato, X. Li, H.P. Hratchian, A.F. Izmaylov, J. Bloino, G. Zheng, J.L. Sonnenberg, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, T. Vreven, J.A. Montgomery, Jr, J.E. Peralta, F. Ogliaro, M. Bearpark, J.J. Heyd, E. Brothers, K.N. Kudin, V.N. Staroverov, R. Kobayashi, J. Normand, K. Raghavachari, A. Rendell, J.C. Burant, S.S. Iyengar, J. Tomasi, M. Cossi, N. Rega, J.M. Millam, M. Klene, J.E. Knox, J.B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R.E. Stratmann, O. Yazyev, A.J. Austin, R. Cammi, C. Pomelli, J.W. Ochterski, R.L. Martin, K. Morokuma, V.G. Zakrzewski, G.A. Voth, P. Salvador, J.J. Dannenberg, S. Dapprich, A.D. Daniels, Ö. Farkas, J.B. Foresman, J.V. Ortiz, J. Cioslowski, and D.J. Fox, Gaussian 09, Revision A.02 (Gaussian, Inc., Wallingford, CT, 2009).
- K.Y. Suponitsky, S. Tafur, and A.E. Masunov, J. Chem. Phys. 129, 044109 (2008).
- R. Dennington, T. Keith, and J. Millam, GaussView, Version 5 (Semichem Inc., Shawnee Mission, KS, 2009).
- J. Tomasi, B. Mennucci, and R. Cammi, Chem. Rev. 105, 2999 (2005).
- J.L. Brédas, Adv. Mater. 7, 263 (1995).
- J. Roncali, Macromol. Rapid Commun. 28, 1761 (2007).
- Y. Zhao and D.G. Truhlar, J. Phys. Chem. A 110, 10478 (2006).
- M.J.G. Peach, E.I. Tellgren, P. Sałek, T. Helgaker, and D.J. Tozer, J. Phys. Chem. A 111, 11930 (2007).
- D. Jacquemin and C. Adamo, J. Chem. Theory Comput. 7, 369 (2007).
- P. Kaatz, E.A. Donley, and D.P. Shelton, J. Chem. Phys. 108, 849 (1997).
- F. Sim, S. Chin, M. Dupuis, and J.E. Rice, J. Phys. Chem. 97, 1158 (1993).
- A.J. Garza, O.I. Osman, G.E. Scuseria, N.A. Wazzan, S.B. Khan, and A.M. Asiri, Theor. Chem. Acc. 132, 1384 (2013).
- A.J. Garza, O.I. Osman, G.E. Scuseria, N.A. Wazzan, S.B. Khan, and A.M. Asiri, Comput. Theor. Chem. 1022, 82 (2013).
- A.M. Asiri, S.A. Khan, M.S. Al-Amoudi, and K.A. Alamry, Bull. Korean Chem. Soc. 33, 1900 (2012).
- K.S. Thanthiriwatte and K.M. Nalin de Silva, Theochem: J. Mol. Struct. 617, 169 (2002).
- K.J. Chen, A.D. Laurent, and D. Jacquemin, J. Phys. Chem. C 118, 4334 (2014).
- J.P. Perdew, R.G. Parr, M. Levy, and J.L. Balduz, Phys. Rev. Lett. 49, 1691 (1982).
- L. Kleinman, Phys. Rev. B 56, 12042 (1997).
- J.P. Perdew and M. Levy, Phys. Rev. B 56, 16021 (1997).
- L. Kleinman, Phys. Rev. B 56, 16029 (1997).
- U. Terranova and D.R. Bowler, J. Chem. Theory Comput. 9, 3181 (2013).
- M.S. Paley and J.M. Harris, J. Org. Chem. 54, 3774 (1989).
- L. Deguan and M.A. Ratner, J. Am. Chem. Soc. 110, 1707 (1988).
- H. Song, Y. Chem, X. Zheng, and B. Ying, Spectrochim. Acta Part A 57, 1717 (2001).
- B. Champagne and B. Kirtman, J. Chem. Phys. 125, 024101 (2006).