The nuclear quadrupole moment of 133Cs: Accurate relativistic coupled cluster calculations for CsF within the point-charge model for nuclear quadrupole moments

Journal of Chemical Physics

Volumn 108, Issue 16, 1998, Pages 6739-6747

  Pernpointner, Markus ^a   Schwerdtfeger, Peter ^a   Hess, Bernd A ^b  

^a UNIVERSITY OF AUCKLAND   (New Zealand)

^b UNIVERSITY OF BONN   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001450943     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.476089     Document Type: Article

References (40)

1. C. Thibault, F. Touchard, S. Büttgenbach, R. Klapisch, M. de Saint Simon, H. T. Duong, P. Jacquinot, P. Juncar, S. Liberman, P. Fillet, J. Pinard, J. L. Vialle, A. Pesnelle, and The Isolde Collaboration, Nucl. Phys. A 367, 1 (1981).
2. S. Svanberg and S. Rydberg, Z. Phys. 227, 216 (1969).
3. C. E. Tanner and C. Wieman, Phys. Rev. A 38, 1616 (1988).
4. P. Raghavan, At. Data Nucl. Data Tables 42, 189 (1989).
5. P. Pyykkö and J. Li, 1992 Nuclear Quadrupole Moments, Report HUKI 1-92, (1992).
6. T. C. English and J. C. Zorn, J. Chem. Phys. 47, 3896 (1967).
7. P. Schwerdtfeger, Phys. Scr. 36, 453 (1987).
8. V. Kellö and A. J. Sadlej, J. Chem. Phys. 93, 8122 (1990).
9. M. Pernpointner, M. Seth, and P. Schwerdtfeger, J. Chem. Phys. 108, 6722 (1998), preceding paper.
10. V. Kellö, A. J. Sadlej, and K. Faegri, Jr., Phys. Rev. A 47, 1715 (1993).
11. T. Saue, K. Fægri, T. Helgaker, and O. Gropen, Mol. Phys. 91, 937 (1997).
12. K. G. Dyall and K. Fægri, Jr., Chem. Phys. Lett. 174, 25 (1990).
13. K. G. Dyall and K. Fægri, Jr., Theor. Chim. Acta 94, 39 (1996).
14. Y. Ishikawa, R. Baretty, and R. C. Binning, Jr., Int. J. Quantum Chem.: Quant. Chem. Symp. 19, 285 (1986).
15. Y. Ishikawa and H. Sekino, Int. J. Quantum Chem.: Quant. Chem. Symp. 22, 457 (1988).
16. Y. Ishikawa and H. Sekino, Chem. Phys. Lett. 165, 243 (1990).
17. L. Visscher, P. J. C. Aerts, O. Visser, and W. C. Nieuwpoort, Int. J. Quantum Chem.: Quant. Chem. Symp. 25, 131 (1991).
18. MOLCAS version 3, K. Andersson, M. R. A. Blomberg, M. P. Fülscher, V. Kellö, R. Lindh, P.-Å. Malmquist, J. Noga, J. Olsen, B. O. Roos, A. J. Sadlej, P. E. M. Siegbahn, M. Urban, and P.-O. Widmark (University of Lund, Sweden, 1994).
19. M. Douglas and N. M. Kroll, Ann. Phys. 82, 89 (1974).
20. B. A. Hess, Phys. Rev. A 32, 756 (1985).
21. B. A. Hess, Phys. Rev. A 33, 3742 (1986).
22. C. F. Froese Fischer, At. Data 4, 301 (1972).
23. C. F. Froese Fischer, At. Data Nucl. Data Tables 12, 87 (1973).
24. J. P. Desclaux, At. Data Nucl. Data Tables 12, 311 (1973).
25. K. D. Dyall, I. P. Grant, F. A. Parpia, and E. P. Plummer, Comput. Phys. Commun. 55, 425 (1989).
26. Y. Ishikawa and H. M. Quiney, Int. J. Quantum Chem.: Quant. Chem. Symp. 21, 523 (1987).
27. B. A. Hess, Ber. Bunsenges. Phys. Chem. 101, 1 (1997).
28. T. H. Dunning, Jr., J. Chem. Phys. 90, 1007 (1989).
29. R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, J. Chem. Phys. 96, 6769 (1992).
30. L. Visscher and K. Dyall, J. Chem. Phys. 104, 9040 (1996).
31. D. W. Davies, Mol. Phys. 63, 1071 (1988).
32. G. Gräff and Ö. Runolfsson, Z. Phys. 187, 140 (1965).
33. H. G. Bennewitz, R. Haerten, O. Klais, and G. Müller, Chem. Phys. Lett. 9, 19 (1971).
34. J. W. Trischka, Phys. Rev. 74, 718 (1948).
35. K. P. Huber and G. Herzberg, Molecular Spectra and Molecular Structure Constants of Diatomic Molecules (Van Nostrand, New York, 1979).
36. K. Dyall, P. Taylor, K. Fægri, and H. Partridge, J. Chem. Phys. 95, 2583 (1991).
37. L. Pisani, J. Chem. Phys. 101, 3079 (1994).
38. L. Visscher, REHE Workshop, edited by O. Gropen and U. Wahlgren, 1995.
39. V. Kellö and A. J. Sadlej, Int. J. Quantum Chem. (submitted).
40. V. Kellö, A. J. Sadlej, and B. A. Heß, J. Chem. Phys. 105, 1995 (1996).