Photoexcitation of a light-harvesting supramolecular triad: A time-dependent DFT study

Journal of Physical Chemistry B

Volumn 113, Issue 16, 2009, Pages 5345-5349

  Spallanzani, N ^a,b   Rozzi, C A ^b   Varsano, D ^b   Baruah, T ^c   Pederson, M R ^d   Manghi, F ^a,b   Rubio, A ^e  

^a UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

^b CNR   (Italy)

^c UNIVERSITY OF TEXAS AT EL PASO   (United States)

^d NAVAL RESEARCH LABORATORY   (United States)

^e UNIVERSITY OF THE BASQUE COUNTRY UPV EHU   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRONIC STRUCTURE; HARVESTING; PHOTOEXCITATION; PORPHYRINS; SUPRAMOLECULAR CHEMISTRY;

AB INITIO STUDY; EXCITED-STATE PROPERTIES; EXPERIMENTAL DATA; LARGE SYSTEM; LIGHT-HARVESTING; NUMERICAL CHALLENGES; PHOTO-INDUCED CHARGE; PHOTOABSORPTION SPECTRA; SUPRAMOLECULAR ASSEMBLIES; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; TIME-DEPENDENT DFT;

DENSITY FUNCTIONAL THEORY;

EID: 66349123041     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp900820q     Document Type: Article

References (25)

1. Green, M. Third Generation Photovoltaics: advanced solar energy conversion; Springer-Veiiag: Berlin, 2004.
2. Kamat, P. V. J. Phys. Chem. C 2007, 111, 2834-2860.
3. Gust, D.; Moore, T. A.; Moore, A. L. Ace. Chem. Res. 2001, 34, 40-48.
4. O'Regan, B.; Gratzel, M. Nature 1991, 335, 737.
5. Gratzel, M. Nature 2001, 414, 338.
6. Guldi, D. M. Chem. Soc. Rev. 2002, 31, 22-36.
7. Baruah, T.; Pederson, M. R. J. Chem. Phys. 2006, 125, 164706.
8. Runge, E.; Gross, E. K. U. Phys. Rev. Lett. 1984, 52, 997.
9. Perdew, P.; Zunger, A. Phys. Rev. B 1981, 23, 5048-5079.
10. Troullier, N.; Martins, J. L. Phys. Rev. B 1991, 43, 8861-8869.
11. Genovese, L.; Deutsch, T.; Neelov, A.; Goedecker, S.; Beylkin, G. J. Chem. Phys. 2006, 125, 74105.
12. Castro, A.; Appel, H.; Oliveira, M.; Rozzi, C. A.; Andrade, X.; Lorenzen, F.; Marques, M. A. L.; Gross, E. K. U.; Rubio, A. Phys. Status Solidi B 2006, 243, 2465-2488.
13. Time-dependent density functional theory; Marques, M. A. L., Ullrich, C, Nogueira, F., Rubio, A., Burke, K., Gross, E. K. U., Eds.; Springer-Veiiag: Berlin, 2006.
14. Castro, A.; Marques, M. A. L.; Rubio, A. J. Chem. Phys. 2004, 121, 3425.
15. Hochbruck, M.; Lubich, C. SIAM J. Numer. Anal. 1997, 34, 1911.
16. Kodis, G.; Liddell, P. A.; Moore, A. L.; Moore, T. A.; Gust, D. J. Phys. Org. Chem. 2004, 17, 724-734.
17. Rizzi, A. C.; van Gastel, M.; Liddell, P. A.; Palacios, R. E.; Moore, G. F.; Kodis, G.; Moore, A. L.; Moore, T. A.; Gust, D.; Braslavsky, S. E. J. Phys. Chem. A 2008, 112, 421.
18. Jeevarajan, A. S.; Kispert, L. D.; Wu, X. Chem. Phys. Lett. 1994, 219, 427.
19. Varsano, D.; Marini, A.; Rubio, A. Phys. Rev. Lett. 2008, 101, 133002.
20. Spallanzani, N.; Rozzi, C. A.; Manghi, F.; Rubio, A. In preparation.
21. Casida, M. E. In Recent Advances in Density Functional Methods; Chong, D. P., Ed.; World Scientific Press: Singapore, 1995; Vol. I, p 155.
22. Pemmaraju, C. D.; Sanvito, S.; Burke, K. Phys. Rev. B 2008, 77, 121204.
23. Korzdorfer, T.; Mundt, M.; Kiimmel, S. Phys. Rev. Lett. 2008, 700, 133004.
24. Ruzsinszky, A.; Perdew, J. P.; Csonka, G. I.; Scuseria, G. E.; Vydrov, O. A. Phys. Rev. A 2008, 77, 060502.
25. Edwards, L.; Dolphin, D. H.; Gouterman, M.; Adler, A. D. J. Mol. Spectrosc. 1971, 38, 16.