Rotational averaging of multiphoton absorption cross sections

Journal of Chemical Physics

Volumn 141, Issue 20, 2014, Pages

  Friese, Daniel H ^a   Beerepoot, Maarten T P ^a   Ruud, Kenneth ^a  

^a UNIVERSITY OF TROMSØ   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

PHOTONS; TENSORS;

ABSORPTION PROPERTY; ARBITRARY ORDER; ISOTROPIC MEDIA; LINEARLY POLARIZED LIGHT; MOLECULAR PROPERTIES; MULTI-PHOTON ABSORPTION; PHOTON ABSORPTIONS; ROTATIONAL AVERAGES;

MULTIPHOTON PROCESSES;

EID: 84912110274     PISSN: 00219606     EISSN: 10897690     Source Type: Journal    
DOI: 10.1063/1.4901563     Document Type: Article

References (32)

1. M. Göppert-Mayer, "Über Elementarakte mit zwei Quantensprüngen," Ann. Phys. 401, 273-294 (1931).
2. 2+," Phys. Rev. Lett. 7, 229-231 (1961).
3. D. A. Parthenopoulos and P. M. Rentzepis, "Three-dimensional optical storage memory," Science 245, 843-845 (1989).
4. W. R. Zipfel, R. M. Williams, and W. W. Webb, "Nonlinear magic: multiphoton microscopy in the biosciences," Nat. Biotechnol. 21, 1369-1377 (2003).
5. H. H. Fan, L. Guo, K. F. Li, M. S. Wong, and K. W. Cheah, "Exceptionally strong multiphoton-excited blue photoluminescence and lasing from ladder-type oligo (p-phenylene)s," J. Am. Chem. Soc. 134, 7297-7300 (2012).
6. G. S. He, P. P. Markowicz, T.-C. Lin, and P. N. Prasad, "Observation of stimulated emission by direct three-photon excitation," Nature 415, 767-770 (2002).
7. M. Pawlicki, H. A. Collins, R. G. Denning, and H. L. Anderson, "Two-photon absorption and the design of two-photon dyes," Angew. Chem., Int. Ed. 48, 3244-3266 (2009).
8. F. Terenziani, C. Katan, E. Badaeva, S. Tretiak, and M. Blanchard-Desce, "Enhanced two-photon absorption of organic chromophores: Theoretical and experimental assessments," Adv. Mater. 20, 4641-4678 (2008).
9. R. Moccia, N. K. Rahman, and A. Rizzo, "Two-photon ionisation cross section calculations of noble gases: results for Ne and Ar," J. Phys. B: At. Mol. Phys. 16, 2737-2751 (1983).
10. J. Olsen and P. Jørgensen, "Linear and nonlinear response functions for an exact state and for an MCSCF state," J. Chem. Phys. 82, 3235-3264 (1985).
11. D. L. Andrews and W. A. Ghoul, "Polarization studies in multiphoton absorption spectroscopy," J. Chem. Phys. 75, 530-538 (1981).
12. H. Hettema, H. J. Aa. Jensen, P. Jørgensen, and J. Olsen, "Quadratic response functions for a multiconfigurational self-consistent field wave function," J. Chem. Phys. 97, 1174-1190 (1992).
13. P. Sałek, O. Vahtras, J. Guo, Y. Luo, T. Helgaker, and H. A˚gren, "Calculations of two-photon absorption cross sections by means of densityfunctional theory," Chem. Phys. Lett. 374, 446-452 (2003).
14. H. Koch and P. Jørgensen, "Coupled cluster response functions," J. Chem. Phys. 93, 3333-3344 (1990).
15. C. Hättig, O. Christiansen, and P. Jørgensen, "Coupled cluster response calculations of two-photon transition probability rate constants for helium, neon and argon," J. Chem. Phys. 108, 8355-8359 (1998).
16. D. H. Friese, C. Hättig, and K. Ruud, "Calculation of two-photon absorption strengths with the approximate coupled cluster singles and doubles model CC2 using the resolution-of-identity approximation," Phys. Chem. Chem. Phys. 14, 1175-1184 (2012).
17. D. Jonsson, P. Norman, and H. A˚gren, "Cubic response functions in the multiconfiguration self-consistent field approximation," J. Chem. Phys. 105, 6401-6419 (1996).
18. P. Cronstrand, Y. Luo, P. Norman, and H. A˚gren, "Ab initio calculations of three-photon absorption," Chem. Phys. Lett. 375, 233-239 (2003).
19. P. Cronstrand, B. Jansik, D. Jonsson, Y. Luo, and H. A˚gren, "Density functional response theory calculations of three-photon absorption," J. Chem. Phys. 121, 9239-9246 (2004).
20. D. H. Friese, M. T. P. Beerepoot, M. Ringholm, and K. Ruud, "An openended recursive approach for the calculation of multi-photon absorption matrix elements" (unpublished).
21. P. R. Monson and W. M. McClain, "Polarization dependence of the two-photon absorption of tumbling molecules with application to liquid 1-chloronaphthalene and benzene," J. Chem. Phys. 53, 29-37 (1970).
22. W. M. McClain, "Excited state symmetry assignment through polarized two-photon absorption studies of fluids," J. Chem. Phys. 55, 2789-2796 (1971).
23. D. L. Andrews and N. P. Blake, "Three-dimensional rotational averages in radiation-molecule interactions: An irreducible cartesian tensor formulation," J. Phys. A: Math. Gen. 22, 49-60 (1989).
24. D. L. Andrews and T. Thirunamachandran, "On three-dimensional rotational averages," J. Chem. Phys. 67, 5026-5033 (1977).
25. D. L. Andrews and W. A. Ghoul, "Eighth rank isotropic tensors and rotational averages," J. Phys. A: Math. Gen. 14, 1281-1290 (1981).
26. G. Wagnière, "The evaluation of three-dimensional rotational averages," J. Chem. Phys. 76, 473-480 (1982).
27. J. M. Leeder and D. L. Andrews, "A molecular theory for two-photon and three-photon fluorescence polarization," J. Chem. Phys. 134, 084503 (2011).
28. O. Christiansen, P. Jørgensen, and C. Hättig, "Response functions from Fourier component variational perturbation theory applied to a timeaveraged quasienergy," Int. J. Quantum Chem. 68, 1-52 (1998).
29. A. J. Thorvaldsen, K. Ruud, K. Kristensen, P. Jørgensen, and S. Coriani, "A density matrix-based quasienergy formulation of the Kohn-Sham density functional response theory using perturbation- and time-dependent basis sets," J. Chem. Phys. 129, 214108 (2008).
30. T. Helgaker, S. Coriani, P. Jørgensen, K. Kristensen, J. Olsen, and K. Ruud, "Recent advances in wave function-based methods of molecular-property calculations," Chem. Rev. 112, 543-631 (2012).
31. E. A. Power and T. Thirunamachandran, "Circular dichroism: A general theory based on quantum electrodynamics," J. Chem. Phys. 60, 3695-3701 (1974).
32. D. L. Andrews and P. Allcock, Optical Harmonics in Molecular Systems: Quantum Electrodynamical Theory (Wiley-VCH, 2002).