Optical properties of atomic boron in rare gas matrices: An ultraviolet-absorption/laser induced fluorescence study with ab initio and diatomics-in-molecules molecular dynamics analysis

Journal of Chemical Physics

Volumn 114, Issue 16, 2001, Pages 7157-7165

  Kiljunen, Toni ^a   Eloranta, Jussi ^a   Ahokas, Jussi ^a   Kunttu, Henrik ^a  

^a UNIVERSITY OF JYVÄSKYLÄ   (Finland)

Author keywords

[No Author keywords available]

Indexed keywords

BORON; COMPUTER SIMULATION; CONTINUUM MECHANICS; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON TRANSITIONS; INERT GASES; LASER ABLATION; MONTE CARLO METHODS; OPTICAL PROPERTIES; PARAMAGNETIC RESONANCE; ULTRAVIOLET DETECTORS;

LASER INDUCED FLUORESCENCE;

MOLECULAR DYNAMICS;

EID: 0035932751     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1360797     Document Type: Article

References (29)

1. V. A. Apkarian and N. Schwentner, Chem. Rev. 99, 1481 (1999).
2. T. Kiljunen, J. Eloranta, J. Ahokas, and H. Kunttu, J. Chem. Phys. 114, 7144 (2001), preceding paper.
3. J. H. Ammeter and D. C. Schlosnagle, J. Chem. Phys. 59, 4784 (1973).
4. W. R. M. Graham and W. Weltner, Jr., J. Chem. Phys. 65, 1516 (1976).
5. G. Jeong and K. J. Klabunde, J. Am. Chem. Soc. 108, 7103 (1986).
6. J. A. Boatz and M. Fajardo, in Proceedings of the High Energy Density Matter (HEDM) Contractor's Conference, edited by T. L. Thompson (USAF Phillips Laboratory, Edwards Air Force Base, CA, 1993), p. 351.
7. E. Hwang, Y.-L. Huang, P. J. Dagdigian, and M. H. Alexander, J. Chem. Phys. 98, 8484 (1993).
8. X. Yang, E. Hwang, P. J. Dagdigian, M. Yang, and M. H. Alexander, J. Chem. Phys. 103, 2779 (1995).
9. M. H. Alexander, A. R. Walton, M. Yang, X. Yang, E. Hwang, and P. J. Dagdigian, J. Chem. Phys. 106, 6320 (1997).
10. X. Yang, P. J. Dagdigian, and M. H. Alexander, J. Chem. Phys. 108, 3522 (1998).
11. J. R. Krumrine, M. H. Alexander, X. Yang, and P. J. Dagdigian, J. Chem. Phys. 112, 5037 (2000).
12. P. J. Knowles, C. Hampel, and H.-J. Werner, J. Chem. Phys. 99, 5219 (1993).
13. C. Hampel, K. Peterson, and H.-J. Werner, Chem. Phys. Lett. 190, 1 (1992).
14. S. F. Boys and F. Bernardi, Mol. Phys. 19, 553 (1970).
15. H.-J. Werner and P. J. Knowles, J. Chem. Phys. 89, 5803 (1988).
16. P. J. Knowles and H.-J. Werner, Chem. Phys. Lett. 145, 514 (1988).
17. M. R. A. Blomberg and P. E. M. Siegbahn, J. Chem. Phys. 78, 5682 (1983).
18. S. R. Langhoff and E. R. Davidson, Int. J. Quantum Chem. 8, 61 (1974).
19. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6796 (1992).
20. A. Nicklass, M. Dolg, H. Stoll, and H. Preuss, J. Chem. Phys. 102, 8942 (1995).
21. T. Kiljunen, J. Eloranta, and H. Kunttu, J. Chem. Phys. 110, 11814 (1999).
22. MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from R. D. Amos, A. Bernhardsson, A. Berning et al.
23. T. J. Lee and P. R. Taylor, Int. J. Quantum Chem., Quantum Chem. Symp. 23, 199 (1989).
24. T. J. Lee, A. P. Rendell, and P. R. Taylor, J. Chem. Phys. 93, 6636 (1990), for example.
25. A. Ding, J. Karlau, J. Weise, J. Kendrick, P. J. Kuntz, I. H. Hillier, and M. F. Guest, J. Chem. Phys. 68, 2206 (1978).
26. J. P. Visticot, P. de Pujo, J. M. Mestdagh, A. Lallement, J. Berlande, O. Sublemontier, P. Meynadier, and J. Cuvellier, J. Chem. Phys. 100, 158 (1994).
27. J. Eloranta and H. Kunttu, J. Chem. Phys. 113, 7446 (2000), and references therein.
28. S. Tam, M. Macler, M. E. DeRose, and M. E. Fajardo, J. Chem. Phys. 113, 9067 (2000).
29. J. R. Krumrine, S. Jang, M. H. Alexander, and G. A. Voth, J. Chem. Phys. 113, 9079 (2000).