The quadrature discretization method (QDM) in the calculation of the rotational-vibrational transitions in rare gas dimers

Journal of Molecular Structure: THEOCHEM

Volumn 391, Issue 1-2, 1997, Pages 131-139

  Shizgal, Bernie D ^a  

^a UNIVERSITY OF BRITISH COLUMBIA   (Canada)

Author keywords

Quadrature discretion method; Rare gas dimer; Rotation vibration transition; Schroedinger equation

Indexed keywords

EID: 0003226328     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(96)04579-4     Document Type: Article

References (39)

1. B. Shizgal, J. Comput. Phys., 41 (1981) 309.
2. D. Kosloff and R. Kosloff, J. Comput. Phys., 52 (1983) 35.
3. B. Shizgal and R. Blackmore, J. Comput. Phys., 55 (1984) 313.
4. R. Blackmore and B. Shizgal, Phys. Rev., 31 (1985) 1855.
5. J. C. Light, I. P. Hamilton and J. V. Lill, J. Chem. Phys., 82 (1985) 1400.
6. Z. Bacic and J. C. Light, Annu. Rev. Phys. Chem., 40 (1989) 469.
7. W. Yang and A. C. Peet, Chem. Phys. Lett., 153 (1988) 98.
8. A. C. Peet and W. Yang, J. Chem. Phys., 90 (1989) 1746.
9. G. C. Groenenboom and H. M. Buck, J. Chem. Phys., 92 (1990) 4374.
10. G. G. Balint-Kurti and P. Pulay, J. Mol. Struc. (Theochem), 341 (1995) 1.
11. B. D. Shizgal and H. Chen, J. Chem. Phys., 104 (1996) 3579.
12. C. Canuto, M. Y. Hussaini, A. Quarteroni and T. A. Zang, Spectral Methods in Fluid Dynamics, Springer, Berlin, 1988; D. Gottlieb and S. A. Orszag, Numerical Analysis of Spectral Methods SIAM, Philadelphia, 1977.
13. C. Canuto, M. Y. Hussaini, A. Quarteroni and T. A. Zang, Spectral Methods in Fluid Dynamics, Springer, Berlin, 1988; D. Gottlieb and S. A. Orszag, Numerical Analysis of Spectral Methods SIAM, Philadelphia, 1977.
14. G. Mansell, W. Merryfield, B. Shizgal and U. Weinert, Comput. Meth. Appl. Mech. Eng., 104 (1993) 295; H. H. Yang, B. R. Seymour and B. D. Shizgal, Comp. Fluids, 23 (1994) 829; H. H. Yang and B. Shizgal, Comput. Meth. Appl. Mech. Eng., 118 (1994) 47.
15. G. Mansell, W. Merryfield, B. Shizgal and U. Weinert, Comput. Meth. Appl. Mech. Eng., 104 (1993) 295; H. H. Yang, B. R. Seymour and B. D. Shizgal, Comp. Fluids, 23 (1994) 829; H. H. Yang and B. Shizgal, Comput. Meth. Appl. Mech. Eng., 118 (1994) 47.
16. G. Mansell, W. Merryfield, B. Shizgal and U. Weinert, Comput. Meth. Appl. Mech. Eng., 104 (1993) 295; H. H. Yang, B. R. Seymour and B. D. Shizgal, Comp. Fluids, 23 (1994) 829; H. H. Yang and B. Shizgal, Comput. Meth. Appl. Mech. Eng., 118 (1994) 47.
17. D. T. Colbert and W. H. Miller, J. Chem. Phys. 96 (1992) 1982.
18. K. Sakimoto and K. Onda, J. Chem. Phys., 100 (1994) 1171.
19. R. Dutt, A. Khare and U. P. Sukhatme, Am. J. Phys., 56 (1988) 163.
20. A. Comtet, A. D. Bandrauk and D. K. Campbell, Phys. Letters B, 150 (1985) 159.
21. J. F. Ogilvie and F. Y. H. Wang, J. Molec. Struc., 291 (1993) 313.
22. J. L. Dunham, Phys. Rev., 41 (1932) 721.
23. D. A. Barrow and R. A. Aziz, J. Chem. Phys., 89 (1988) 6189.
24. D. A. Barrow, M. J. Slaman and R. A. Aziz, J. Chem. Phys., 91 (1989) 6348.
25. R. A. Aziz and A. van Dalen. J. Chem. Phys., 78 (1983) 2402, 2413.
26. D. A. Barrow, M. J. Slaman and R. A. Aziz, J. Chem. Phys., 96 (1992) 5555.
27. W. Jager, Y. Xu and M. C. L. Gerry, J. Chem. Phys., 99 (1993) 919.
28. Y. Xu, W. Jager, J. Djauhari and M. C. L. Gerry, J. Chem. Phys., 103 (1995) 2827.
29. J. U. Grabow, A. S. Pine, G. T. Fraser, F. J. Lovas, R. D. Suenram, T. Enifisson, E. Arunan and H. S. Gutowsky, J. Chem. Phys., 102 (1995) 1181.
30. I. Hazell, A. Norregaard and N. Bjerre, J. Mol. Spec., 172 (1995) 135.
31. P. Nevai (Ed.), Orthogonal Polynomials: Theory and Practice Kluwer Academic, Norwell, MA, 1990; Davis and P. Rabinowitz, Methods of Numerical Integration, Academic Press, New York, 1975; G. Freud, Orthogonal Polynomials, Pergamon, New York, 1971; T. S. Chihara, An Introduction to Orthogonal Polynomials, Gordon and Breach, New York, 1978.
32. P. Nevai (Ed.), Orthogonal Polynomials: Theory and Practice Kluwer Academic, Norwell, MA, 1990; Davis and P. Rabinowitz, Methods of Numerical Integration, Academic Press, New York, 1975; G. Freud, Orthogonal Polynomials, Pergamon, New York, 1971; T. S. Chihara, An Introduction to Orthogonal Polynomials, Gordon and Breach, New York, 1978.
33. P. Nevai (Ed.), Orthogonal Polynomials: Theory and Practice Kluwer Academic, Norwell, MA, 1990; Davis and P. Rabinowitz, Methods of Numerical Integration, Academic Press, New York, 1975; G. Freud, Orthogonal Polynomials, Pergamon, New York, 1971; T. S. Chihara, An Introduction to Orthogonal Polynomials, Gordon and Breach, New York, 1978.
34. P. Nevai (Ed.), Orthogonal Polynomials: Theory and Practice Kluwer Academic, Norwell, MA, 1990; Davis and P. Rabinowitz, Methods of Numerical Integration, Academic Press, New York, 1975; G. Freud, Orthogonal Polynomials, Pergamon, New York, 1971; T. S. Chihara, An Introduction to Orthogonal Polynomials, Gordon and Breach, New York, 1978.
35. A. S. Clarke and B. Shizgal, J. Comput. Phys., 104 (1993) 140.
36. J. D. Jackson, Mathematics for Quantum Mechanics, pp. 93-94 Academic Press, New York, 1975.
37. W. Gautschi, J. Comput. Appl. Math., 12 (1985) 61.
38. M. Keil, L. Danielson and P. J. Dunlop, J. Chem. Phys. 94 (1991) 296.
39. M. R. C. McDowell and J. P. Coleman, Introduction to the Theory of Ion-Atom Collisions, North-Holland, Amsterdam, 1970.