Skip to main content
Log in

Theoretical studies on level structures and transition properties of neptunium ions

  • Regular Article
  • Published:
The European Physical Journal D Aims and scope Submit manuscript

Abstract

Multiconfiguration Dirac-Fock (MCDF) method was employed to calculate the ionization potentials, ionic radii, excitation energies and oscillator strengths for neptunium ions. In the calculations, main valence correlation effects, Breit interaction and QED effects were taken into account. The good consistency with other available theoretical values demonstrates the validity of the present calculations. These theoretical results therefore can be used to predict some physicochemical properties of Np and its oxides.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  1. S. Heathman, R.G. Haire, T. Le Bihan, A. Lindbaum, M. Idiri, P. Normile, S. Li, R. Ahuja, B. Johansson, G.H. Lander, Science 309, 110 (2005)

    Article  ADS  Google Scholar 

  2. M. Dozol, R. Hagemann, Pure Appl. Chem. 65, 1081 (1993)

    Article  Google Scholar 

  3. J.P. Kaszuba, W.H. Runde, Environ. Sci. Technol. 33, 4427 (1999)

    Article  Google Scholar 

  4. Z.J. Cao, K. Balasubramanian, J. Chem. Phys. 123, 114309 (2005)

    Article  ADS  Google Scholar 

  5. K. Nilsson, L. Carlsen, The Migration Chemistry of Neptunuim (Risø National Laboratory, Denmark, 1989)

  6. A. Seibert, T. Gouder, F. Huber, J. Nucl. Mater. 389, 470 (2009)

    Article  ADS  Google Scholar 

  7. T. Nishi, A. Itoh, M. Takano, M. Numata, M. Akabori, Y. Arai, K. Minato, J. Nucl. Mater. 376, 78 (2008)

    Article  ADS  Google Scholar 

  8. H. Serizawa, Y. Arai, K. Nakajima, J. Chem. Thermodyn. 33, 615 (2001)

    Article  Google Scholar 

  9. T. Yamashita, N. Nitani, T. Tsuji, H. Inagaki, J. Nucl. Mater. 247, 90 (1997)

    Article  ADS  Google Scholar 

  10. Y. Yun, J. Rusz, M.-T. Suzuki, P.M. Oppeneer, Phys. Rev. B 83, 075109 (2011)

    Article  ADS  Google Scholar 

  11. L. Petit, A. Svane, Z. Szotek, W.M. Temmerman, G.M. Stocks, Phys. Rev. B 81, 045108 (2010)

    Article  ADS  Google Scholar 

  12. B.T. Wang, H.L. Shi, W.D. Li, P. Zhang, Phys. Rev. B 81, 045119 (2010)

    Article  ADS  Google Scholar 

  13. D.A. Andersson, J. Lezama, B.P. Uberuaga, C. Deo, S.D. Conradson, Phys. Rev. B 79, 024110 (2009)

    Article  ADS  Google Scholar 

  14. I.D. Prodan, G.E. Scuseria, R.L. Martin, Phys. Rev. B 76, 033101 (2007)

    Article  ADS  Google Scholar 

  15. K. Kurosaki, M. Imamura, I. Sato, T. Namekawa, M. Uno, S. Yamanaka, J. Alloys Compd. 387, 9 (2005)

    Article  Google Scholar 

  16. K.T. Moore, G. van der Laan, R.G. Haire, M.A. Wall, A.J. Schwartz, Phys. Rev. B 73, 033109 (2006)

    Article  ADS  Google Scholar 

  17. R.C. Albers, Nature 410, 759 (2001)

    Article  ADS  Google Scholar 

  18. S.S. Hecker, Metall. Mater. Trans. A 35, 2207 (2004)

    Article  Google Scholar 

  19. H.L. Skrivers, O.K. Andersen, B. Johansson, Phys. Rev. Lett. 41, 42 (1978)

    Article  ADS  Google Scholar 

  20. J.G. Tobin, K.T. Moore, B.W. Chung, M.A. Wall, A.J. Schwartz, G. van der Laan, A.L. Kutepov, Phys. Rev. B 72, 085109 (2005)

    Article  ADS  Google Scholar 

  21. S.Y. Savrasov, G. Kotliar, E. Abrahams, Nature 410, 793 (2001)

    Article  ADS  Google Scholar 

  22. L. Havela, T. Gouder, F. Wastin, J. Rebizant, Phys. Rev. B 65, 235118 (2002)

    Article  ADS  Google Scholar 

  23. K.T. Moore, G. van der Laan, Rev. Mod. Phys. 81, 235 (2009)

    Article  ADS  Google Scholar 

  24. I.P. Grant, Adv. Phys. 19, 747 (1970)

    Article  ADS  Google Scholar 

  25. I.P. Grant, J. Phys. B 7, 1458 (1974)

    Article  ADS  Google Scholar 

  26. P. Jönsson, X. He, C.F. Fischer, I.P. Grant, Comput. Phys. Commun. 177, 597 (2007)

    Article  ADS  MATH  Google Scholar 

  27. F.A. Parpia, C.F. Fischer, I.P. Grant, Comput. Phys. Commun. 94, 249 (1996)

    Article  ADS  Google Scholar 

  28. S. Fritzsche, Eur. Phys. J. D 33, 15 (2005)

    Article  ADS  Google Scholar 

  29. J. Olsen, B.O. Roos, P. Jörgensen, H.J.Aa. Jensen, J. Chem. Phys. 89, 2185 (1988)

    Article  ADS  Google Scholar 

  30. L. Sturesson, P. Jönsson, C.F. Fischer, Comput. Phys. Commun. 177, 539 (2007)

    Article  ADS  MATH  Google Scholar 

  31. Y. Zou, C.F. Fischer, Phys. Rev. Lett. 88, 183001 (2002)

    Article  ADS  Google Scholar 

  32. K.G. Dyall, I.P. Grant, C.T. Johnson, F.A. Parpia, E.P. Plummer, Comput. Phys. Commun. 55, 425 (1989)

    Article  ADS  Google Scholar 

  33. Y.J. Yu, J.G. Li, C.Z. Dong, X.B. Ding, S. Fritzsche, B. Fricke, Eur. Phys. J. D 44, 51 (2007)

    Article  ADS  Google Scholar 

  34. X.Y. Cao, M. Dolg, Mol. Phys. 101, 961 (2003)

    Article  ADS  Google Scholar 

  35. W.J. Liu, W. Kchüle, M. Dolg, Phys. Rev. A 58, 1103 (1998)

    Article  ADS  Google Scholar 

  36. J.C. Slater, J. Chem. Phys. 41, 3199 (1964)

    Article  ADS  Google Scholar 

  37. R.D. Shannon, Acta Crystallogr. A 32, 751 (1976)

    Article  ADS  Google Scholar 

  38. M. Sewtz, H. Backe, C.Z. Dong, A. Dretzke, K. Eberhardt, S. Fritzsche, C. Grüning, R.G. Haire, G. Kube, P. Kunz, J. Lassen, W. Lauth, G. Passler, P. Schwamb, P. Thoerle, N. Trautmann, Spectrochim. Acta Part B 58, 1077 (2003)

    Article  ADS  Google Scholar 

  39. M. Sewtz, H. Backe, A. Dretzke, G. Kube, W. Lauth, P. Schwamb, K. Eberhardt, C. Grüning, P. Thörle, N. Trautmann, P. Kunz, J. Lassen, G. Passler, C.Z. Dong, S. Fritzsche, R.G. Haire, Phys. Rev. Lett. 90, 163002 (2003)

    Article  ADS  Google Scholar 

  40. K.L. Vander Sluis, L.J. Nugent, J. Opt. Soc. Am. 64, 687 (1974)

    Article  ADS  Google Scholar 

  41. L. Brewer, J. Opt. Soc. Am. 61, 1666 (1971)

    Article  ADS  Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to C.Z. Dong.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Zhou, W., Dong, C., Wang, Q. et al. Theoretical studies on level structures and transition properties of neptunium ions. Eur. Phys. J. D 66, 260 (2012). https://doi.org/10.1140/epjd/e2012-30321-0

Download citation

  • Received:

  • Revised:

  • Published:

  • DOI: https://doi.org/10.1140/epjd/e2012-30321-0

Keywords

Navigation