Rovibrational Hamiltonians for general polyatomic molecules in spherical polar parametrization. I. Orthogonal representations

Journal of Chemical Physics

Volumn 112, Issue 3, 2000, Pages 1070-1081

  Mladenović, Mirjana ^a  

^a UNIVERSITY OF GÖTTINGEN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000300358     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.480662     Document Type: Article

References (61)

1. J. K. G. Watson, Mol. Phys. 15, 479 (1968); 19, 465 (1970).
2. J. K. G. Watson, Mol. Phys. 15, 479 (1968); 19, 465 (1970).
3. N. C. Handy, Mol. Phys. 61, 207 (1987).
4. F. T. Smith, J. Chem. Phys. 31, 1352 (1959).
5. J. Tennyson and B. T. Sutcliffe, J. Chem. Phys. 77, 4061 (1982).
6. F. T. Smith, Phys. Rev. Lett. 45, 1157 (1980).
7. M. J. Bramley, W. H. Green, Jr., and N. C. Handy, Mol. Phys. 72, 1183 (1991).
8. S. M. Corwell and N. C. Handy, Mol. Phys. 92, 317 (1997).
9. A. G. Császár and N. C. Handy, Mol. Phys. 86, 959 (1995).
10. (a) J. Tennyson and A. van der Avoird, J. Chem. Phys. 77, 5664 (1982);
11. (b) G. Brocks, A. van der Avoird, B. T. Sutcliffe, and J. Tennyson, Mol. Phys. 50, 1025 (1983).
12. E. J. Shipsey, J. Chem. Phys. 89, 5473 (1988).
13. R. Wallace and C. Chu, Chem. Phys. 161, 155 (1992).
14. D. W. Schwenke, J. Phys. Chem. 100, 2867 (1996); 100, 18884(E) (1996).
15. D. W. Schwenke, J. Phys. Chem. 100, 2867 (1996); 100, 18884(E) (1996).
16. Z. Bačić and J. C. Light, J. Chem. Phys. 86, 3065 (1987).
17. M. Mladenović and Z. Bačić, J. Chem. Phys. 93, 3039 (1990).
18. M. J. Bramley and T. Carrington, Jr., J. Chem. Phys. 99, 8519 (1993).
19. H. H. Nielsen, Rev. Mod. Phys. 23, 90 (1951).
20. G. O. Sørensen, Top. Curr. Chem. 82, 97 (1979).
21. X. Chapuisat and C. lung, Phys. Rev. A 45, 6217 (1992).
22. (a) F. Gatti, C. lung, M. Menou, Y. Justum, A. Nauts, and X. Chapuisat, J. Chem. Phys. 108, 8804 (1998);
23. (b) C. lung, F. Gatti, A. Viel, and X. Chapuisat, Phys. Chem. Chem. Phys. 1, 3377 (1999).
24. G. Arfken, Mathematical Methods for Physicists (Academic, San Diego, 1985).
25. See EPAPS Document No. E-JCPSA6-112-001003 for 9 pages of the detail description of orthogonal internal vectors. This document may be retrieved via the EPAPS homepage (http://www.aip.org/epaps/epaps.html) or from ftp.aip.org in the directory /epaps/. See the EPAPS homepage for further information.
26. J. O. Hirschfelder, Int. J. Quantum Chem., Symp. III, 17 (1969), and references therein.
27. X. Chapuisat, A. Belafhal, and A. Nauts, J. Mol. Spectrosc. 149, 274 (1991).
28. J. A. Bentley, R. E. Wyatt, M. Menou, and C. Leforestier, J. Chem. Phys. 97, 4255 (1992).
29. K. S. Rao and V. Rajeswari, Quantum Theory of Angular Momentum (Springer-Verlag, Berlin, 1993).
30. (a) D. Zhao and R. N. Zare, Mol. Phys. 65, 1263 (1988);
31. (b) L. Wei, Comput. Phys. 12, 632 (1998).
32. R. N. Zare, Angular Momentum (Wiley, New York, 1988).
33. H. Diehl, S. Flügge, U. Schröder, A. Völkel, and A. Weiguny, Z. Phys. 162, 1 (1961).
34. (a) M. Mladenović, S. Schmatz, and P. Botschwina, J. Chem. Phys. 101, 1 (1994);
35. (b) S. Schmatz and M. Mladenović, Ber. Bunsenges. Phys. Chem. 101, 372 (1997);
36. (c) M. Mladenović and S. Schmatz, J. Chem. Phys. 109, 4456 (1998);
37. (d) M. Mladenović, P. Botschwina, P. Sebald, and S. Carter, Theor. Chem. Ace. 100, 134 (1998).
38. See, for instance (a) J. R. Henderson and J. Tennyson, Mol. Phys. 89, 953 (1996); (b) H. Y. Mussa and J. Tennyson, J. Chem. Phys. 109, 10885 (1998).
39. See, for instance (a) J. R. Henderson and J. Tennyson, Mol. Phys. 89, 953 (1996); (b) H. Y. Mussa and J. Tennyson, J. Chem. Phys. 109, 10885 (1998).
40. (a) M. J. Bramley and N. C. Handy, J. Chem. Phys. 98, 1378 (1993);
41. (b) S. Carter, N. C. Handy, and J. Demaison, Mol. Phys. 90, 729 (1997);
42. (c) S. Koput, S. Carter, and N. C. Handy, J. Phys. Chem. 102, 6325 (1998).
43. B. T. Sutcliffe and J. Tennyson, Mol. Phys. 58, 1053 (1986).
44. B. R. Johnson and W. P. Reinhardt, J. Chem. Phys. 85, 4538 (1986).
45. M. Mladenović, J. Chem. Phys, 112, 1082 (2000), following paper.
46. M. Abramowitz and I. E. Stegun, Handbook of Mathematical Functions, Natl. Bur. Stand. Appl. Mathematics Series 55 (U.S. GPO, Washington, DC, 1964).
47. E. U. Condon and G. H. Shortley, The Theory of Atomic Spectra (Cambridge University Press, Cambridge, 1935).
48. R. T Pack, in Advances in Molecular Vibrations and Collision Dynamics, edited by J. M. Bowman (JAI, Greenwich, CT, 1994), Vol. 2A, pp. 111-145.
49. J. H. Van Vleck, Rev. Mod. Phys. 23, 213 (1951).
50. R. T Pack and G. A. Parker, J. Chem. Phys. 87, 3888 (1987).
51. G. C. Schatz, M. S. Fitzcharles, and L. B. Harding. Faraday Discuss. Chem. Soc. 84, 359 (1987).
52. K. Kudla, G. C. Schatz, and A. F. Wagner, J. Chem. Phys. 95, 1635 (1991).
53. R. B. Lehoucq, S. K. Gray, D. H. Zhang, and J. C. Light, Comput. Phys. Commun. 109, 15 (1998).
54. D. H. Zhang and J. Z. H. Zhang, J. Chem. Phys. 103, 6512 (1995).
55. M. Mladenović (unpublished).
56. M. Quack and M. A. Suhm, J. Chem. Phys. 95, 28 (1991).
57. (a) D. H. Zhang, Q. Wu, J. Z. H. Zhang, M. von Dirke, and Z. Bačić, J. Chem. Phys. 102, 2315 (1995);
58. (b) M. von Dirke, Z. Bačić, D. H. Zhang, and J. Z. H. Zhang, ibid. 102, 4382 (1995).
59. (a) X. T. Wu, A. B. McCoy, and E. F. Hayes, J. Chem. Phys. 110, 2354 (1999);
60. (b) X. T. Wu, E. F. Hayes, and A. B. McCoy, ibid. 110, 2365 (1999).
61. M. A. Suhm, J. T. Fartell, Jr., A. McIlroy, and D. Nesbitt, J. Chem. Phys. 97, 5341 (1992).