Density functional response theory calculations of three-photon absorption

Journal of Chemical Physics

Volumn 121, Issue 19, 2004, Pages 9239-9246

  Cronstrand, Peter ^a   Jansik, Branislav ^a   Jonsson, Dan ^b   Luo, Yi ^a   Ågren, Hans ^a  

^a ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^b STOCKHOLM UNIVERSITY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL COMPLEXITY; ELECTRONS; MATHEMATICAL MODELS; MATHEMATICAL OPERATORS; PHOTONS; PROBABILITY DENSITY FUNCTION;

DIPOLE MOMENTS; THREE-PHOTON ABSORPTION; TRANSITION MOMENTS;

LIGHT ABSORPTION;

EID: 10844277105     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1804175     Document Type: Article

References (48)

1. B. A. Reinhardt, Photonics Sci. News 4, 21 (1999).
2. B. A. Reinhardt, L. L. Brott, S. J. Clarson et al., Chem. Mater. 10, 1863 (1998).
3. M. Albota, D. Beljonne, J. L. Brédas et al., Science 281, 1653 (1998).
4. S. H. Guang, P. Przemyslaw, P. Markowicz, T. C. Lin, and P. N. Prasad, Nature (London) 415, 767 (2002).
5. D. Y. Wang, C. L. Zhan, Y. Chen, Y. J. Li, Z. Z. Lu, and Y. X. Nie, Chem. Phys. Lett. 369, 621 (2003).
6. C. L. Zhan, D. Li, D. Zhang et al., Chem. Phys. Lett. 353, 138 (2002).
7. S. Singh and L. T. Bradley, Phys. Rev. Lett. 12, 612 (1964).
8. C. K. Wang, P. Macak, Y. Luo, and H. Ågren, J. Chem. Phys. 114, 9813 (2001)
9. S.-J. Chung, K.-S. Kim, T.-C. Lin, G. S. He, J. Swiatkiewitz, and P. N. Prasad, J. Phys. Chem. B 103, 10741 (1999).
10. P. Macak, Y. Luo, P. Norman, and H. Ågren, J. Chem. Phys. 113, 7055 (2000).
11. P. Norman, Y. Luo, and H. Ågren, J. Chem. Phys. 111, 7758 (1999).
12. Y. Luo, P. Norman, P. Macak, and H. Ågren, J. Phys. Chem. A 104, 4718 (2000).
13. P. Cronstrand, Y. Luo, and H. Ågren, J. Chem. Phys. 117, 11102 (2002).
14. P. Cronstrand, P. Norman, Y. Luo, and H. Ågren, J. Chem. Phys. 121, 2020 (2004).
15. P. Cronstrand, P. Norman, Y. Luo, and H. Ågren, Chem. Phys. Lett. 375, 233 (2003).
16. B. Jansik, P. Salek, D. Jonsson, O. Vahtras, and H. Ågren, J. Chem. Phys. (in press).
17. W. M. McClain, J. Chem. Phys. 55, 2789 (1971).
18. R. L. Sutherland, Handbook of Nonlinear Optics (Marcel Dekker, New York, 1996).
19. O. Christiansen, P. Jørgensen, and C. Hättig, Int. J. Quantum Chem. 68, 1 (1998) and references therein.
20. J. Olsen and P. Jørgensen, J. Chem. Phys. 82, 3235 (1984).
21. J. Olsen and P. Jørgensen, in Modem Electronic Structure Theory, Part I edited by Yarkony (World scientific, Singapore, 1995).
22. O. Vahtras, P. Salek, T. Helgaker, and H. Ågren, J. Chera. Phys. 117, 9630 (2002).
23. P. Salek, O. Vahtras, J.-D. Guo, Y. Luo, T. Helgaker, and H. Ågren, Chem. Phys. Lett. 374, 446 (2003).
24. O. Christiansen, A. Halkier, H. Koch, P. Jørgensen, and T. Helgaker, J. Chem. Phys. 108, 2801 (1998).
25. O. Christiansen, H. Koch, and P. Jørgensen, J. Chem. Phys. 103, 7429 (1995).
26. O. Christiansen, H. Koch, and P. Jørgensen, J. Chem. Phys. 105, 1451 (1996).
27. O. Christiansen, H. Koch, and P. Jørgensen, J. Chem. Phys. 243, 409 (1995).
28. C. Hättig, O. Christiansen, and P. Jørgensen, J. Chem. Phys. 108, 8331 (1998).
29. T. Helgaker, H. J. Aa. Jensen, P. Jørgensen et al., DALTON, an ab initio electronic structure program, Release 1.2. See http://www.kjemi.uio.no/ software/dalton/dalton.html, 2001.
30. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992); ibid., 96, 6796 (1992).
31. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992); ibid., 96, 6796 (1992).
32. W. J. Hehre, R. Ditchfield, and J. A. Pople, J. Chem. Phys. 56, 2257 (1972).
33. A. D. Becke, J. Chem. Phys. 98, 5648 (1993).
34. M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., GAUSSIAN 98 (Gaussian Inc., Pittsburgh, PA, 1998). See http://www.gaussian.com.
35. O.-K. Kim, K.-S. Lee, H. Y. Woo, K.-S. Kim, G. S. He, J. Swiatkiewicz, and P. N. Prasad, Chem. Mater. 12, 284 (2000).
36. L. Ventelon, L. Moreaux, J. Mertz, and M. Blanchard-Desce, Chem. Commun. (London) 1999, 2055.
37. C. Adamo, G. B. Scuseria, and V. Barone, J. Chem. Phys. 111, 2889 (1999).
38. J. Baker and P. Pulay, J. Chem. Phys. 117, 1441 (2002).
39. Z. L. Cai, K. Sendt, and J. R. Reimers, J. Chem. Phys. 117, 5543 (2002).
40. B. Champagne, E. A. Perpète, S. J. A. van Gisbergen et al., J. Chem. Phys. 109, 10489 (1998).
41. B. Champagne, E. A. Perpète, D. Jacquemin, S. J. A. van Gisbergen, E. J. Baerends, C. Soubra-Ghaoui, K. A. Robins, and B. Kirtman, J. Phys. Chem. A 104, 4755 (2000).
42. P. Cronstrand, O. Christiansen, P. Norman, and H. Ågren, Phys. Chem. Chem. Phys. 3, 2567 (2001).
43. P. Cronstrand, O. Christiansen, P. Norman, and H. Ågren, Phys. Chem. Chem. Phys. 2, 5357 (2000).
44. P. Norman, Y. Luo, and H. Ågren, J. Chem. Phys. 11, 7758 (1999).
45. J. W. Robinson, Handbook of Spectroscopy (CRC, Cleveland, OH, 1974), Vol. 2.
46. M. Rumi, J. E. Ehrlich, A. A. Heikal et al., J. Am. Chem. Soc. 122, 9500 (2000).
47. G. Hohlneicher and B. Dick, J. Photochem. 27, 215 (1984).
48. M. S. Gudipati, M. Mauds, J. Daverkausen, and G. Hohlneicher Chem. Phys. 192, 37 (1995).