Symmetry-adapted direct product discrete variable representation for the coupled angular momentum operator: Application to the vibrations of (CO2)2

Journal of Chemical Physics

Volumn 119, Issue 8, 2003, Pages 4187-4196

  Lee, Hee Seung ^a   Chen, Hua ^a   Light, John C ^a  

^a UNIVERSITY OF CHICAGO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; BOUNDARY CONDITIONS; CARBON DIOXIDE; DIMERS; ELECTRON ENERGY LEVELS; HAMILTONIANS; ITERATIVE METHODS; MATHEMATICAL OPERATORS; MATRIX ALGEBRA; QUANTUM THEORY;

COUPLED ANGULAR MOMENTUM; DISCRETE VARIABLE REPRESENTATION; PERMUTATION-INVERSION SYMMETRY; SEQUENTIAL DIAGONALIZATION AND TRUNCATION METHOD;

MOLECULAR VIBRATIONS;

EID: 0042882516     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1592511     Document Type: Article

References (46)

1. M. J. Bramley and N. C. Handy, J. Chem. Phys. 98, 1378 (1993).
2. M. J. Bramley and T. Carrington, Jr., J. Chem. Phys. 99, 8519 (1993).
3. J. Antikainen, R. Friesner and C. Leforestier, J. Chem. Phys. 102, 1270 (1995).
4. D. H. Zhang, Q. Wu, J. Z. Zhang, M. von Dirke, and Z. Bačić, J. Chem. Phys. 102, 2315 (1995).
5. S. Carter, N. C. Handy, and J. Demaison, Mol. Phys. 90, 729 (1997).
6. R. B. Lehoucq, S. K. Gray, D.-H. Zhang, and J. C. Light, Comput. Phys. Commun. 109, 15 (1998).
7. N. C. Handy, S. Carter, and S. M. Colwell, Mol. Phys. 96, 477 (1999).
8. A. Viel and C. Leforestier, J. Chem. Phys. 112, 1212 (2000).
9. D. Luckhaus, J. Chem. Phys. 113, 1329 (2000).
10. R. Chen, G. Ma, and H. Guo, J. Chem. Phys. 114, 4763 (2001).
11. M. Mladenović, Spectrochim. Acta, Part A 58, 809 (2002).
12. D. Xu, G. Li, D. Xie, and H. Guo, Chem. Phys. Lett. 365, 480 (2002).
13. H.-G. Yu and J. T. Muckerman, J. Mol. Spectrosc. 214, 11 (2002).
14. X.-G. Wang and T. Carrington, Jr., J. Chem. Phys. 117, 6923 (2002).
15. D. W. Schwenke and H. Partridge, Spectrochim. Acta, Part A 57, 887 (2001).
16. H.-G. Yu, J. Chem. Phys. 117, 2030 (2002).
17. M. A. Kosin, O. L. Polyansky, J. Tennyson, and H. Y. Mussa, J. Chem. Phys. 118, 3538 (2003).
18. H. Y. Mussa and J. Tennyson, J. Chem. Phys. 109, 10885 (1998).
19. M. Mladenović, J. Chem. Phys. 112, 1070 (2000).
20. D. O. Harris, G. G. Engerholm, and W. D. Gwinn, J. Chem. Phys. 43, 1515 (1965).
21. J. C. Light and T. Carrington, Jr., Adv. Chem. Phys. 114, 263 (2000).
22. J. Cullum and R. A. Willoughby, Lanczos Algorithm for Large Symmetric Eigenvalue Computation (Birkhäuser, Boston, 1985).
23. G. C. Corey, J. W. Tromp, and D. Lemoine, in Numerical Grid Methods and Their Applications to Schrödinger's Equation, edited by C. Cerjan (Kluwer, Dordrecht, 1992).
24. G. C. Corey and D. Lemoine, J. Chem. Phys. 97, 4115 (1992).
25. Z. Bačić and J. C. Light, Annu. Rev. Phys. Chem. 40, 469 (1989).
26. S. E. Choi and J. C. Light, J. Chem. Phys. 97, 7031 (1992).
27. H. Chen, Ph.D. thesis, University of Chicago (2000).
28. J. Echave and D. C. Clary, Chem. Phys. Lett. 190, 225 (1992).
29. H. Wei and T. Carrington, Jr., J. Chem. Phys. 97, 3029 (1992).
30. J. Dai and J. C. Light, J. Chem. Phys. 107, 8432 (1997).
31. H. Chen and J. C. Light, J. Chem. Phys. 112, 5070 (2000).
32. M. Mladenović, Spectrochim. Acta, Part A Part A 58, 795 (2002).
33. R. Bukowski, J. Sadlej, B. Jeziorski, P. Jankowski, K. Szalewicz, S. A. Kucharaski, H. L. Williams, and B. M. Rice, J. Chem. Phys. 110, 3785 (1999).
34. J. V. Lill, G. A. Parker, and J. C. Light, Chem. Phys. Lett. 89, 483 (1982).
35. R. Meyer, J. Chem. Phys. 52, 2053 (1970).
36. J. T. Muckerman, Chem. Phys. Lett. 173, 2000 (1990).
37. P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy (NRC, Ottawa, 1998).
38. A. van der Avoird, E. H. T. Olthof, and P. E. S. Wormer, J. Chem. Phys. 105, 8034 (1996).
39. N. M. Poulin, M. J. Bramley, T. Carrington, Jr., H. G. Kjaergaard, and B. R. Henry, J. Chem. Phys. 104, 7807 (1996).
40. R. M. Whitnell and J. C. Light, J. Chem. Phys. 89, 3674 (1988).
41. J. Tennyson and A. van der Avoird, J. Chem. Phys. 77, 5664 (1982).
42. J. Tennyson and A. van der Avoird, J. Chem. Phys. 80, 2986 (1984).
43. X.-G. Wang and T. Carrington, Jr., J. Chem. Phys. 114, 1473 (2001).
44. R. Chen and H. Guo, J. Chem. Phys. 114, 1467 (2001).
45. θ.
46. S. E. Choi and J. C. Light, J. Chem. Phys. 92, 2129 (1990).