Advertisement

Optics and Spectroscopy

, Volume 106, Issue 6, pp 790–792 | Cite as

Ab initio calculation of the spectroscopic properties of TlF

  • L. V. SkripnikovEmail author
  • A. N. Petrov
  • N. S. Mosyagin
  • V. F. Ezhov
  • A. V. Titov
Spectroscopy of Atoms and Molecules

Abstract

The potential curves of the ground states of the TlF molecule and TlF anion are ab initio calculated by the relativistic coupled clusters method using a generalized relativistic pseudopotential. The corresponding spectroscopic parameters are calculated and it is shown that TlF is stable in the lowest vibrational states. The information obtained is necessary for preparing a new series of experiments aimed at searching for CP-noninvariant effects in nucleon-nucleon interactions on the basis of the TlF molecule.

PACS numbers

06.20.Jr 31.30.J- 33.20.Tp 

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. 1.
    J. S. M. Ginges and V. V. Flambaum, Phys. Rep. 397, 63 (2004).CrossRefADSGoogle Scholar
  2. 2.
    J. Erler and M. J. Ramsey-Musolf, Prog. Part. Nucl. Phys. 54, 351 (2005).CrossRefADSGoogle Scholar
  3. 3.
    I. B. Khriplovich and S. K. Lamoreaux, CP Violation without Strangeness. The Electric Dipole Moments of Particles, Atoms, and Molecules (Springer, Berlin, 1997).Google Scholar
  4. 4.
    G. E. Harrison, P. G. H. Sandars, and S. J. Wright, Phys. Rev. Lett. 22, 1263 (1969).CrossRefADSGoogle Scholar
  5. 5.
    D. Cho, K. Sangster, and E. A. Hinds, Phys. Rev. A 44, 2783 (1991).CrossRefADSGoogle Scholar
  6. 6.
    F. A. Parpia, J. Phys. B 30, 3983 (1997).CrossRefADSGoogle Scholar
  7. 7.
    H. M. Quiney, J. K. Laerdahl, Jr. K. Faegri, and T. Saue, Phys. Rev. A 57, 920 (1998).CrossRefADSGoogle Scholar
  8. 8.
    A. N. Petrov, N. S. Mosyagin, T. A. Isaev, A. V. Titov, V. F. Ezhov, E. Eliav, and U. Kaldor, Phys. Rev. Lett. 88, 073001 (2002).Google Scholar
  9. 9.
    E. D. Commins, Adv. At. Mol. Opt. Phys. 40, 1 (1998).Google Scholar
  10. 10.
    E. N. Fortson, P. Sandars, and S. Barr, Phys. Today 56, 33 (2003).CrossRefGoogle Scholar
  11. 11.
    M. Kozlov and L. Labzowsky, J. Phys. B 28, 1933 (1995).CrossRefADSGoogle Scholar
  12. 12.
    A. V. Titov, N. S. Mosyagin, A. N. Petrov, T. A. Isaev, and D. P. DeMille, Progr. Theor. Chem. Phys. B 15, 253 (2006).CrossRefGoogle Scholar
  13. 13.
    L. Sinclair, J. Bohn, A. Leanhardt, P. Maletinsky, E. M. R. Stutz, and E. Cornell, in Abstracts of the 36th APS Meeting (Lincoln, APS, 2005), p. 6119.Google Scholar
  14. 14.
    A. N. Petrov, N. S. Mosyagin, T. A. Isaev, and A. V. Titov, Phys. Rev. A 75, 030501 (2007).Google Scholar
  15. 15.
    A. V. Titov and N. S. Mosyagin, Int. J. Quat. Chem. 71, 359 (1999).CrossRefGoogle Scholar
  16. 16.
    A. V. Titov, N. S. Mosyagin, T. A. Isaev, and A. N. Petrov, Phys. Atom. Nucl. 66, 1152 (2003).CrossRefADSGoogle Scholar
  17. 17.
    N. S. Mosyagin, A. V. Titov, and Z. Latajka, Int. J. Quantum Chem. 63, 1107 (1997).CrossRefGoogle Scholar
  18. 18.
    K. Andersson, M. R. A. Blomberg, M. P. Fulscher, V. Kello, R. Lindh, P. A. Malmqvist, J. Noga, J. Olsen, B. O. Roos, A. J. Sadlej, P. E. M. Siegbahn, M. Urban, and P. O. Widmark, Quantum-chemical Program Package MOLCAS (1991).Google Scholar
  19. 19.
    E. Eliav and U. Kaldor, Chem. Phys. Lett. 248, 405 (1996).CrossRefADSGoogle Scholar
  20. 20.
    E. Eliav, U. Kaldor, and B. A. Hess, J. Chem. Phys. 108, 3409 (1998).CrossRefADSGoogle Scholar
  21. 21.
    E. Eliav, U. Kaldor, and Y. Ishikawa, Phys. Rev. A 50, 1121 (1994).CrossRefADSGoogle Scholar
  22. 22.
    E. Eliav, U. Kaldor, and Y. Ishikawa, Phys. Rev. A 49, 1724 (1994).CrossRefADSGoogle Scholar
  23. 23.
    N. S. Mosyagin, A. V. Titov, and E. Eliav, J. Chem. Phys. 115, 2007 (2001).CrossRefADSGoogle Scholar
  24. 24.
    M. Gutowski, J. H. van Lenthe, J. Verbeek, F. B. van Duijneveldt, and G. Chalasinski, Chem. Phys. Lett. 124, 370 (1986).CrossRefADSGoogle Scholar
  25. 25.
    B. Liu and A. D. McLean, J. Chem. Phys. 91, 2348 (1989).CrossRefADSGoogle Scholar
  26. 26.
    R. J. Bartlett, in Modern Electronic Structure Theory, Ed. by D.R. Yarkony (World Sci., Singapore, 1995), Vol. 2, pp. 1047–1131.Google Scholar
  27. 27.
    U. Kaldor and S. R. Hughes, Phys. Rev. A 47, 4705 (1993).CrossRefADSGoogle Scholar
  28. 28.
    H. S. W. Massey, Negative Ions (Cambridge Univ. Press, Cambridge, 1976; Mir, Moscow,1979).Google Scholar

Copyright information

© Pleiades Publishing, Ltd. 2009

Authors and Affiliations

  • L. V. Skripnikov
    • 1
    • 2
    Email author
  • A. N. Petrov
    • 1
    • 2
  • N. S. Mosyagin
    • 1
  • V. F. Ezhov
    • 1
  • A. V. Titov
    • 1
    • 2
  1. 1.Petersburg Nuclear Physics InstituteRussian Academy of SciencesGatchina, Leningrad districtRussia
  2. 2.Petersburg State UniversityPeterhof, PetersburgRussia

Personalised recommendations