Theoretical study of the double Renner effect for à Π2 MgNCMgCN: Higher excited rovibrational states

Journal of Chemical Physics

Volumn 126, Issue 9, 2007, Pages

  Odaka, Tina Erica ^a,c   Melnikov, Vladlen V ^a,d   Jensen, Per ^a   Hirano, Tsuneo ^b,e   Lang, Bruno ^a   Langer, Peter ^a  

^a UNIVERSITY OF WUPPERTAL   (Germany)

^b OCHANOMIZU UNIVERSITY   (Japan)

^c INSTITUT UNIVERSITAIRE EUROPÉEN DE LA MER   (France)

^d NATIONAL RESEARCH TOMSK POLYTECHNIC UNIVERSITY   (Russian Federation)

^e NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; MAGNESIUM COMPOUNDS; SCHRODINGER EQUATION;

ELECTRONIC ENERGY; MATRIX DIAGONALIZATION; RENNER EFFECT; ROVIBRATIONAL STATES;

MOLECULAR VIBRATIONS;

EID: 33847714369     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2464094     Document Type: Article

References (40)

1. T. E. Odaka, T. Hirano, and P. Jensen, J. Mol. Struct. 795, 14 (2006).
2. See EPAPS Document No. E-JCPSA6-126-002708 for a pdf file with the Ph.D thesis by Tina Erica Odaka (see Ref.). This document can be reached via a direct link in the online article's HTML reference section or via the EPAPS homepage (http://www.aip.org/pubservs/epaps.html).
3. T. E. Odaka, T. Taketsugu, T. Hirano, and U. Nagashima, J. Chem. Phys. 115, 1349 (2001).
4. T. E. Odaka, T. Hirano, and P. Jensen, J. Mol. Spectrosc. 211, 147 (2002).
5. P. Jensen, T. E. Odaka, W. P. Kraemer, T. Hirano, and P. R. Bunker, Spectrochim. Acta, Part A 58, 763 (2002).
6. T. E. Odaka, T. Hirano, and P. Jensen, J. Mol. Spectrosc. 216, 379 (2002).
7. P. Jensen, M. Brumm, W. P. Kraemer, and P. R. Bunker, J. Mol. Spectrosc. 171, 31 (1995).
8. M. Kolbuszewski, P. R. Bunker, P. Jensen, and W. P. Kraemer, Mol. Phys. 88, 105 (1996).
9. G. Osmann, P. R. Bunker, P. Jensen, and W. P. Kraemer, Chem. Phys. 225, 33 (1997).
10. J. T. Hougen, P. R. Bunker, and J. W. C. Johns, J. Mol. Spectrosc. 34, 136 (1970).
11. P. R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, 2nd ed. (NRC Research, Ottawa, 1998).
12. P. Jensen, G. Osmann, and I. N. Kozin, in Vibration-Rotational Spectroscopy and Molecular Dynamics, edited by, D. Papoušek, (World Scientific, Singapore, 1997).
13. S. N. Yurchenko, W. Thiel, S. Patchkovskii, and P. Jensen, Phys. Chem. Chem. Phys. 7, 573 (2005).
14. P. R. Bunker, I. P. Hamilton, and P. Jensen, J. Mol. Spectrosc. 155, 44 (1992).
15. G. Osmann, P. R. Bunker, P. Jensen, R. J. Buenker, J. P. Gu, and G. Hirsch, J. Mol. Spectrosc. 197, 262 (1999).
16. E. H. Fink and D. A. Ramsay, J. Mol. Spectrosc. 185, 304 (1997).
17. P. Jensen, R. J. Buenker, J. P. Gu, G. Osmann, and P. R. Bunker, Can. J. Phys. 79, 641 (2001).
18. E. H. Fink and D. A. Ramsay, J. Mol. Struct. 795, 155 (2006).
19. M. Gùlin, J. Cernicharo, C. Kahane, and J. Gomez-Gonzales, Astron. Astrophys. 157, L17 (1986).
20. K. Kawaguchi, E. Kagi, T. Hirano, S. Takano, and S. Saito, Astrophys. J. 406, L39 (1993).
21. K. Ishii, T. Hirano, U. Nagashima, B. Weis, and K. Yamashita, Astrophys. J. 410, L43 (1993).
22. L. M. Ziurys, A. J. Apponi, M. Gùlin, and J. Cernicharo, Astrophys. J. 445, L47 (1995).
23. Y. Saad, Numerical Methods for Large Eigenvalue Problems (Manchester University Press, Manchester, 1991).
24. Z. Bai, J. Demmel, J. Dongarra, A. Ruhe, and H. van der Vorst, Templates for the Solution of Algebraic Eigenvalue Problems: A Practical Guide (SIAM, Philadelphia, PA, 2000).
25. J. K. Cullum and R. A. Willoughby, Theory, Lanczos Algorithms for Large Symmetric Eigenvalue Problems Vol. 1 (Birkhäuser, Boston, 1985).
26. J. K. Cullum and R. A. Willoughby, Programs, Lanczos Algorithms for Large Symmetric Eigenvalue Problems Vol. 2 (Birkhäuser, Boston, 1985).
27. R. E. Davidson, J. Comput. Phys. 17, 87 (1975).
28. G. L. G. Sleijpen and H. A. van der Vorst, SIAM J. Matrix Anal. Appl. 17, 401 (1996).
29. R. B. Lehoucq, D. C. Sorensen, and C. Yang, ARPACK Users' Guide (SIAM, Philadelphia, PA, 1998).
30. B. N. Parlett, The Symmetric Eigenvalue Problem (SIAM, Philadelphia, PA, 1998).
31. G. H. Golub and C. van Loan, Matrix Computations, 3rd ed. (Johns Hopkins University Press, Baltimore, 1996).
32. E. Anderson, Z. Bai, C. Bischof, LAPACK Users' Guide, 3rd ed. (SIAM, Philadelphia, PA, 1999).
33. J. J. Dongarra, J. Du Croz, S. Hammarling, and I. Duff, ACM Trans. Math. Softw. 16, 1 (1990).
34. C. H. Bischof, B. Lang, and X. Sun, ACM Trans. Math. Softw. 26, 581 (2000).
35. C. H. Bischof, B. Lang, and X. Sun, ACM Trans. Math. Softw. 26, 602 (2000).
36. I. S. Dhillon, B. N. Parlett, and C. Vömel, University of California, Berkeley, Technical Report No. UCBCSD-04-1346, 2004 (unpublished).
37. I. S. Dhillon, Ph.D. thesis, University of California, Berkeley, 1997.
38. K. Goto and R. van de Geijn, University of Texas, Austin, Technical Report No. TR 2002-55, 2002 (unpublished).
39. J. T. Hougen, J. Chem. Phys. 36, 519 (1962).
40. J. M. Brown, J. T. Hougen, K.-P. Huber, J. W. C. Johns, I. Kopp, H. Lefebvre-Brion, A. J. Merer, D. A. Ramsay, J. Rostas, and R. N. Zare, J. Mol. Spectrosc. 55, 500 (1975).