Reassignment of the O2 spectrum just below dissociation threshold based on ab initio calculations

Journal of Chemical Physics

Volumn 117, Issue 11, 2002, Pages 5240-5251

  Van Vroonhoven, Mirjam C G N ^a   Groenenboom, Gerrit C ^a  

^a RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; ELECTRON ENERGY LEVELS; FUNCTIONS; HAMILTONIANS; KINETIC ENERGY; MOLECULAR VIBRATIONS; OXYGEN; POTENTIAL ENERGY;

QUANTUM CALCULATIONS;

QUANTUM THEORY;

EID: 0037106448     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1499493     Document Type: Article

References (32)

1. G. Herzberg, Naturwissenschaften 20, 577 (1932).
2. G. Herzberg, Can. J. Phys. 30, 185 (1952).
3. G. Herzberg, Can. J. Phys. 31, 657 (1953).
4. D.A. Ramsay, Can. J. Phys. 64, 717 (1986).
5. P.M. Borrell, P. Borrell, and D.A. Ramsay, Can. J. Phys. 64, 721 (1986).
6. B. Coquart and D.A. Ramsay, Can. J. Phys. 64, 726 (1986).
7. T.G. Slanger and P.C. Cosby, J. Phys. Chem. 92, 267 (1988).
8. T.G. Slanger, D.L. Huestis, P.C. Cosby, H. Naus, and G. Meijer, J. Chem. Phys. 105, 9393 (1996).
9. K. Yoshino, J.R. Esmond, J.E. Murray, W.H. Parkinson, A.P. Thorne, R.C.M. Learner, and G. Cox, J. Chem. Phys. 103, 1243 (1995).
10. K. Yoshino, J.R. Esmond, W.H. Parkinson, A.P. Thorne, R.C.M. Learner, and G. Cox, J. Chem. Phys. 111, 2960 (1999).
11. K. Yoshino, J.R. Esmond, W.H. Parkinson, A.P. Thorne, R.C.M. Learner, G. Cox, and A.S.-C. Cheung, J. Chem. Phys. 112, 9791 (2000).
12. M.C.G.N. van Vroonhoven and G.C. Groenenboom, J. Chem. Phys. 116, 1954 (2002).
13. M.C.G.N. van Vroonhoven and G.C. Groenenboom, J. Chem. Phys. 116, 1965 (2002).
14. B. Zygelman, A. Dalgarno, and R.D. Sharma, Phys. Rev. A 49, 2587 (1994).
15. B. Zygelman, A. Dalgarno, and R.D. Sharma, Phys. Rev. A 50, 3920 (1994).
16. D.R. Bates, Proc. Phys. Soc. London, Sect. B 64, 805 (1951).
17. R.P. Saxon and B. Liu, J. Chem. Phys. 67, 5432 (1977).
18. H. Partridge, C.W. Bauschlicher, Jr., S.R. Langhoff, and P.R. Taylor, J. Chem. Phys. 95, 8292 (1991).
19. A. Jenouvrier, M.-F. Mérienne, B. Coquart, M. Carleer, S. Fally, A.C. Vandaele, C. Hermans, and R. Colin, J. Mol. Spectrosc. 198, 136 (1999).
20. J.T. Hougen, J. Chem. Phys. 36, 519 (1962).
21. H. Lefebvre-Brion and R.W. Field, Perturbations in the Spectra of Diatomic Molecules (Academic, New York, 1986).
22. G.C. Groenenboom and D.T. Colbert, J. Chem. Phys. 99, 9681 (1993), note the mistake in the signs between the two terms in the first and second part of Eq. (48); see also D.T. Colbert and W.H. Miller, ibid. 96, 1982 (1992).
23. G.C. Groenenboom and D.T. Colbert, J. Chem. Phys. 99, 9681 (1993), note the mistake in the signs between the two terms in the first and second part of Eq. (48); see also D.T. Colbert and W.H. Miller, ibid. 96, 1982 (1992).
24. M. Mizushima, The Theory of Rotating Diatomic Molecules (Wiley, New York, 1975).
25. J.T. Hougen, "The calculation of rotational energy levels and rotational line intensities in diatomic molecules," NBS Monograph 115, National Bureau of Standards, 1970, available online at http://physics.nist.gov/ Pubs/Mono115/.
26. J.H. van Vleck, Rev. Mod. Phys. 23, 213 (1951).
27. J.K.G. Watson, Mol. Phys. 19, 465 (1970).
28. G. Brocks, A. van der Avoird, B.T. Sutcliffe, and J. Tennyson, Mol. Phys. 50, 1025 (1983).
29. A. van der Avoird, P.E.S. Wormer, and R. Moszynski, Chem. Rev. 94, 1931 (1994).
30. M. Larsson, Phys. Scr. 23, 835 (1981).
31. L.C. Biedenharn and J.D. Louck, Angular Momentum in Quantum Physics, Vol. 8 of Encyclopedia of Mathematics (Addison-Wesley, Reading, 1981).
32. R.N. Zare, Angular Momentum (Wiley, New York, 1988).