A theoretical spectroscopic study of HeI and HeBr

Physical Chemistry Chemical Physics

Volumn 7, Issue 8, 2005, Pages 1694-1699

  Leonard C ^a   Le Quere F ^a   Peterson, K A ^b  

^a UNIVERSITÉ GUSTAVE EIFFEL   (France)

^b WASHINGTON STATE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BROMINE; HELIUM; IODINE;

ALGORITHM; ARTICLE; CHEMISTRY; THERMODYNAMICS;

ALGORITHMS; BROMINE; HELIUM; IODINE; THERMODYNAMICS;

EID: 18144394755     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/b501253h     Document Type: Article

References (34)

1. A. Braun, PhD Thesis N2967, Ecole Polytechnique Fédérale de Lausanne, 2004.
2. A. B. McCoy, J. P. Darr, D. S. Boucher, R. R. Winter, M. D. Bradke and R. A. Loomis, J. Chem. Phys., 2004, 120, 2677-2685.
3. S. K. Gray and C. E. Wozny, J. Chem. Phys., 1991, 94, 2817-2832.
4. R. L. Waterland, M. I. Lester and N. Halberstadt, J. Chem. Phys., 1990, 92, 4261-4271.
5. R. H. Bisseling, R. Kossloff, R. B. Gerber, M. A. Ratner, L. Gibson and C. Cerjan, J. Chem. Phys., 1987, 87, 2760-2765.
6. C. Cerjan and S. A. Rice, J. Chem. Phys., 1983, 78, 4952-4957.
7. (a) M. P. de Lara-Castells, R. V. Krems, A. A. Buchachenko, G. Delgado-Barrio and P. Villarreal, J. Chem. Phys., 2001, 115, 10438-10449;
8. (b) M. P. de Lara-Castells, A. A. Buchachenko, G. Delgado-Barrio and P. Villarreal, J. Chem. Phys., 2004, 120, 2182-2192.
9. S. K. Gray, J. Chem. Phys., 1992, 96, 6543-6554.
10. (a) P. J. Knowles, C. Hampel and H.-J. Werner, J. Chem. Phys., 1993, 99, 5219;
11. (b) P. J. Knowles, C. Hampel and H.-J. Werner, J. Chem. Phys., 2000, 112, 3106, Erratum.
12. K. A. Peterson, D. Figgen, E. Goll, H. Stoll and M. Dolg, J. Chem. Phys., 2003, 119, 11113-11123.
13. (a) T. H. Dunning Jr, J. Chem. Phys., 1989, 90, 1007;
14. (b) R. A. Kendall, T. H. Dunning Jr and R. J. Harrison, J. Chem. Phys., 1992, 96, 6796.
15. A. Halkier, T. Helgaker, P. Jørgensen, W. Klopper, H. Koch, J. Olsen and A. K. Wilson, Chem. Phys. Lett., 1998, 286, 243.
16. (a) M. Douglas and N, M. Kroll, Ann. Phys. (New York), 1974, 82, 89;
17. (b) G. Jansen and B. A. Hess, Phys. Rev. A, 1989, 39, 6016.
18. W. A. de Jong, R. J. Harrison and D. A. Dixon, J. Chem. Phys., 2001, 114, 48.
19. S. F. Boys and F. Bernardi, Mol. Phys., 1970, 19, 553.
20. MOLPRO, a package of ab initio programs designed by H.-J. Werner and P. J. Knowles, version 2002.1, R. D. Amos, A. Bernhardsson, A. Berning, P. Celani, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, C. Hampel, G. Hetzer, P. J. Knowles, T. Korona, R. Lindh, A. W. Lloyd, S. J. McNicholas, F. R. Manby, W. Meyer, M. E. Mura, A. Nicklass, P. Palmieri, R. Pitzer, G. Rauhut, M. Schütz, U. Schumann, H. Stoll, A. J. Stone, R. Tarroni and T. Thorsteinsson, H.-J. Werner, http://www.molpro.net.
21. H. Partridge, J. R. Stallcop and E. Levin, J. Chem. Phys., 2001, 115, 6471-6488.
22. (a) S. R. Langhoff and C. W. Kern, ModernTheoretical Chemistry, Plenum Press, New York, 1977, vol. 3;
23. (b) H. A. Bethe and E. E. Salpeter, in Quantum Mechanics of One- and Two-Electron Atoms, Springer-Verlag, Berlin, 1957.
24. A. Berning, M. Schweizer, H.-J. Werner, P. J. Knowles and P. Palmieri, Mol. Phys., 2000, 98, 1823.
25. (a) H.-J. Werner and P. J. Knowles, J. Chem. Phys., 1985, 82, 5053;
26. (b) P. J. Knowles and H.-J. Werner, Chem. Phys. Lett., 1985, 115, 259.
27. R. Burcl, R. V. Krems, A. A. Buchachenko, M. M. Szczȩśniak, G. Chalasiński and S. M. Cybulski, J. Chem. Phys., 1998, 109, 2144-2154.
28. L. Veseth, J. Phys. B, 1973, 6, 1473-1483.
29. (a) Ch. E. Moore, Atomic Energy Levels, Circular of the National Bureau of Standards 467, US Government Printing Office, Washington, DC, 1952, Vol. II;
30. (b) Ch. E. Moore, Atomic Energy Levels. Circular of the National Bureau of Standards 467, US Government Printing Office, Washington, DC, 1958, Vol. III.
31. C. Lanczos, J. Res. Natl. Bur. Stand., 1950, 45, 255.
32. T. J. Park and J. C. Light, J. Chem. Phys., 1986, 85, 5870.
33. S. Marple, Jr, Digital Spectral Analysis with Applications, Prentice-Hall, Englewood Cliffs, 1987.
34. A. Rohrbacher, T. Ruchti, K. C. Janda, A. A. Buchachenko, M. I. Hernàndez, T. Gonzàlez-Lezana, P. Villarreal and G. Delgado-Barrio, J. Chem. Phys., 1999, 110, 256-266.