Full-dimensional quantum calculations of vibrational energy levels of acetylene (HCCH) up to 13,000 cm-1

Chemical Physics Letters

Volumn 365, Issue 5-6, 2002, Pages 480-486

  Xu, Dingguo ^a,b   Li, Guohui ^a   Xie, Daiqian ^a,c   Guo, Hua ^a  

^a UNIVERSITY OF NEW MEXICO   (United States)

^b SICHUAN UNIVERSITY   (China)

^c NANJING UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0037073151     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0009-2614(02)01503-8     Document Type: Article

References (35)

1. T. Carrington, L.M. Hubbard, H.F. Schaefer, W.H. Miller, J. Chem. Phys. 80 (1984) 4347.
2. K.M. Ervin, J. Ho, W.C. Lineberger, J. Chem. Phys. 91 (1989) 5974.
3. J.F. Stanton, J. Gauss, J. Chem. Phys. 110 (1999) 1831.
4. Y. Chen, D.M. Jonas, J.L. Kinsey, R.W. Field, J. Chem. Phys. 91 (1989) 3976.
5. M.E. Kellman, G. Chen, J. Chem. Phys. 95 (1991) 8671.
6. E.L. Sibert, R.C. Mayrhofer, J. Chem. Phys. 99 (1993) 937.
7. A.B. McCoy, E.L. Sibert, J. Chem. Phys. 105 (1996) 459.
8. J.P. Rose, M.E. Kellman, J. Chem. Phys. 105 (1996) 10743.
9. R. Schork, H. Köppel, J. Chem. Phys. 115 (2001) 7907.
10. R.L. Hayes, E. Fattal, N. Govind, E.A. Carter, J. Am. Chem. Soc. 123 (2001) 641.
11. S. Zou, J.M. Bowman, J. Chem. Phys. 116 (2002) 6667.
12. S. Zou, J.M. Bowman, J. Chem. Phys., in press.
13. L. Halonen, M.S. Child, S. Carter, Mol. Phys. 47 (1982) 1097.
14. M.J. Bramley, S. Carter, N.C. Handy, I.M. Mills, J. Mol. Spectrosc. 157 (1993) 301.
15. G. Strey, I.M. Mills, J. Mol. Spectrosc. 59 (1976) 103.
16. A.B. McCoy, E.L. Sibert, J. Chem. Phys. 95 (1991) 3476.
17. M.J. Bramley, N.C. Handy, J. Chem. Phys. 98 (1993) 1378.
18. J.A. Bentley, R.E. Wyatt, M. Menou, C. Leforestier, J. Chem. Phys. 97 (1992) 4255.
19. R. Prosmiti, S.C. Farantos, J. Chem. Phys. 103 (1995) 3299.
20. E.L. Sibert, A.B. McCoy, J. Chem. Phys. 105 (1996) 469.
21. L. Liu, J.T. Muckerman, J. Chem. Phys. 107 (1997) 3402.
22. R. Chen, G. Ma, H. Guo, Chem. Phys. Lett. 320 (2000) 567.
23. R. Chen, G. Ma, H. Guo, J. Chem. Phys. 114 (2001) 4763.
24. J. Echave, D.C. Clary, Chem. Phys. Lett. 190 (1992) 225.
25. G.C. Corey, D. Lemoine, J. Chem. Phys. 97 (1992) 4115.
26. E.M. Goldfield, Comput. Phys. Commun. 128 (2000) 178.
27. C. Lanczos, J. Res. Natl. Bur. Stand. 45 (1950) 255.
28. J.K. Cullum, R.A. Willoughby, Lanczos Algorithms for Large Symmetric Eigenvalue Computations, Birkhauser, Boston, 1985.
29. R. Chen, H. Guo, J. Chem. Phys. 111 (1999) 9944.
30. R. Chen, H. Guo, L. Liu, J. Muckerman, J. Chem. Phys. 109 (1998) 7128.
31. M. Herman, J. Lievin, J. Vander Auwera, A. Campargue, Adv. Chem. Phys. 108 (1999) 1.
32. M.P. Jacobson, R.W. Field, J. Phys. Chem. 104 (2000) 3073.
33. T.A. Holme, R.D. Levine, Chem. Phys. 131 (1989) 169.
34. R.L. Sundberg, E. Abramson, J. Kinsey, R.W. Field, J. Chem. Phys. 83 (1985) 466.
35. T. Zimmerman, L.S. Cederbaum, H.-D. Meyer, H. Köppel, J. Phys. Chem. 91 (1987) 4446.