Journal of Chemical Physics
Feedback | Help | Exit
The Journal of Chemical Physics
Search:
   
 
 
 
Previous Article
Structural and optical properties of highly hydroxylated fullerenes: Stability of molecular domains on the C60 surface
The excitation spectra and the structural properties of highly hydroxylated C60(OH)x fullerenes (so-called fullerenols) are analyzed by comparing optical absorption experiments on dilute fullerenol-wa...
Next Article
Cooperative organic hydrogen bonds: The librational modes of cyclic methanol clusters
Intermolecular hydrogen bond libration modes of isolated cyclic methanol trimers (613  cm–1) and tetramers (695 and 760  cm–1) are observed in pulsed jet Fourier transfor...

Light absorption during alkali atom-noble gas atom interactions at thermal energies: A quantum dynamics treatment

J. Chem. Phys. 125, 154313 (2006); doi:10.1063/1.2357956

Published 20 October 2006

You are not logged in to this journal. Log in

Alexander B. Pacheco, Andrés Reyes, and David A. Micha
Quantum Theory Project, Departments of Chemistry and Physics, University of Florida, Gainesville, Florida 32611-8435
The absorption of light during atomic collisions is treated by coupling electronic excitations, treated quantum mechanically, to the motion of the nuclei described within a short de Broglie wavelength approximation, using a density matrix approach. The time-dependent electric dipole of the system provides the intensity of light absorption in a treatment valid for transient phenomena, and the Fourier transform of time-dependent intensities gives absorption spectra that are very sensitive to details of the interaction potentials of excited diatomic states. We consider several sets of atomic expansion functions and atomic pseudopotentials, and introduce new parametrizations to provide light absorption spectra in good agreement with experimentally measured and ab initio calculated spectra. To this end, we describe the electronic excitation of the valence electron of excited alkali atoms in collisions with noble gas atoms with a procedure that combines l-dependent atomic pseudopotentials, including two- and three-body polarization terms, and a treatment of the dynamics based on the eikonal approximation of atomic motions and time-dependent molecular orbitals. We present results for the collision induced absorption spectra in the Li–He system at 720  K, which display both atomic and molecular transition intensities. ©2006 American Institute of Physics
History: Received 26 June 2006; accepted 1 September 2006; published 20 October 2006
Permalink: http://link.aip.org/link/?JCPSA6/125/154313/1
BUY THIS ARTICLE   (US$24)
Download HTML Download Sectioned HTML Download PDF (186 kB) View Cart

KEYWORDS and PACS

Keywords
PACS
  • 31.15.-p
    Calculations and mathematical techniques in atomic and molecular physics excluding electron correlation calculations
  • YEAR: 2006

RELATED DATABASES


To view database links for this article,
you need to log in.
To view database links for this article,
you need to log in.

PUBLICATION DATA

ISSN:
0021-9606 (print)   1089-7690 (online)
Publisher:
AIP is a member of CrossRef AIP

REFERENCES (32)
View in Separate Window/Tab
For access to fully linked references, you need to log in. For access to fully linked references, you need to Log in.
  1. E. Czuchaj, F. Rebentrost, H. Stoll, and H. Preuss, Chem. Phys. 196, 37 (1995).
  2. W. Behmenburg, A. Makonnen, A. Kaiser et al., J. Phys. B 29, 3891 (1996).
  3. T. Grycuk, W. Behmenburg, and V. Staemmler, J. Phys. B 34, 245 (2001).
  4. W. Behmenburg, A. Kaiser, H. Bettermann, T. Grycuk, and V. Staemmler, J. Phys. B 35, 747 (2002).
  5. F. Stienkemeier, J. Higgins, W. E. Ernst, and G. Scoles, Z. Phys. B: Condens. Matter 98, 413 (1995).
  6. M. Groß and F. Spiegelmann, J. Chem. Phys. 108, 4148 (1998).
  7. J. Ahokas, T. Kiljunen, J. Eloranta, and H. Kunttu, J. Chem. Phys. 112, 2420 (2000).
  8. D. A. Micha, J. Chem. Phys. 78, 7138 (1983).
  9. D. A. Micha and K. Runge, Phys. Rev. A 50, 322 (1994).
  10. K. Runge and D. A. Micha, Phys. Rev. A 53, 1388 (1996).
  11. H. F. M. DaCosta, D. A. Micha, and K. Runge, J. Chem. Phys. 107, 9018 (1997).
  12. D. A. Micha, J. Phys. Chem. A 103, 7562 (1999).
  13. K. Runge and D. A. Micha, Phys. Rev. A 62, 022703 (2000).
  14. A. Reyes and D. A. Micha, J. Chem. Phys. 119, 12308 (2003).
  15. A. Reyes and D. A. Micha, J. Chem. Phys. 119, 12316 (2003).
  16. R. E. M. Hedges, D. L. Drummond, and A. Gallagher, Phys. Rev. A 6, 1519 (1972).
  17. G. York, R. Scheps, and A. Gallagher, J. Chem. Phys. 63, 1052 (1975).
  18. J. Pascale, Phys. Rev. A 28, 632 (1983).
  19. M. Jungen and V. Staemmler, J. Phys. B 21, 463 (1988).
  20. A. Jablo[s-acute]ki, Phys. Rev. 68, 78 (1945).
  21. J. Szudy and W. E. Baylis, Phys. Rep. 266, 127 (1996).
  22. N. Allard and J. Kielkopf, Rev. Mod. Phys. 54, 1103 (1982).
  23. G. Peach, Comments At. Mol. Phys. 11, 101 (1982).
  24. P. S. Julienne, M. Krauss, and W. Stevens, Chem. Phys. Lett. 38, 374 (1976).
  25. K. C. Kulander and F. Rebentrost, J. Chem. Phys. 80, 5623 (1984).
  26. P. S. Herman and K. M. Sando, J. Chem. Phys. 68, 1153 (1978).
  27. A. B. Pacheco, A. Reyes, and D. A. Micha, Phys. Rev. A (to be published).
  28. D. J. Griffiths, Introduction to Electrodynamics (Prentice-Hall, Englewood Cliffs, NJ, 1989).
  29. R. Loudon, The Quantum Theory of Light, 2nd ed. (Oxford University Press, Oxford, 1983).
  30. E. Czuchaj, F. Rebentrost, H. Stoll, and H. Preuss, Chem. Phys. 136, 79 (1989).
  31. A. Reyes, Ph.D. thesis, University of Florida, 2003.
  32. A. B. Pacheco and D. A. Micha, 44th Sanibel Symposium, St. Simons Island, Georgia, 2005 (unpublished).

CITING ARTICLES
For access to citing articles, you need to log in.
For access to citing articles, you need to Log in.


Copyright © American Institute of Physics