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Theoretica chimica acta

, Volume 74, Issue 6, pp 431–444 | Cite as

Dynamic polarizabilities and Rydberg states of open shell atomic systems

  • P. K. Mukherjee
  • K. Ohtsuki
  • K. Ohno
Article

Abstract

Time dependent coupled Hartree-Fock (TDCHF) theory is applied to calculate frequency dependent polarizabilities, transition energies, oscillator strengths and effective quantum numbers of several excited states of the open shell ions Al, Si+, P2+, S3+, Cl4+, Ar5+, Cl and Ar+ in the 2P state within and beyond the normal dispersion region. The Roothaan formalism has been adopted to deal with the open shell problem. The excitation energies are extracted from the positions of the poles of an appropriate functional. Analytic representations of the singly excited Rydberg states have been found. The results obtained compare well with spectroscopic and other elaborate theoretical data wherever available. Inner shell excitations have been found for the first time within TDCHF theory.

Key words

Dynamic polarizabilities Rydberg states Open shell ions 

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References

  1. 1.
    Feneuille S, Jacquinot P (1981) Adv At Mol Phys 17:126Google Scholar
  2. 2.
    Berry HG, Bromander J, Curtis LJ, Buchta R (1971) Phys Scr 3:125Google Scholar
  3. 3.
    Sorensen G (1973) Phys Rev A 7:85Google Scholar
  4. 4.
    Lundin L, Engman B, Hilke J, Martinson I (1974) Phys Scr 8:274Google Scholar
  5. 5.
    Martinson I, Gaupp A (1974) Phys Rep 15:113Google Scholar
  6. 6.
    Irwin DJG, Livingston AE (1973) Can J Phys 51:848; (1976) ibid 54:805Google Scholar
  7. 7.
    Martinson I (1982) Nucl Instrum Methods 202:1Google Scholar
  8. 8.
    Weiss AW (1976) In: Sellin IA, Pegg DJ (eds) Beam foil spectroscopy, vol 1. Plenum Press, New York, p 51Google Scholar
  9. 8a.
    Wiese WL, Younger SM (1976) ibid, 2:951Google Scholar
  10. 9.
    Safinya KA, Gallagher TF (1980) Phys Rev A 22:1588Google Scholar
  11. 10.
    Higgs C, Smith KA, Dunning FB, Stebbings RF (1981) J Chem Phys 75:745Google Scholar
  12. 11.
    Kellert FG, Jeys TH, McMillan GB, Smith KA, Dunning FB, Stebbings RF (1981) Phys Rev A 23:1127Google Scholar
  13. 12.
    Smith WH, Liszt HS (1971) J Opt Soc Am 61:938Google Scholar
  14. 13.
    Smith WH (1970) Nucl Instrum Methods 90:115Google Scholar
  15. 14.
    Gabriel AH, Jordan C (1969) Mon Not Roy Astron Soc 145:241Google Scholar
  16. 15.
    Gabriel AH, Jordan C (1972) Case studies in atomic collision physics II. North Holland, Amsterdam, p 221Google Scholar
  17. 16.
    Doschek GA, Meekins JF, Cowan RD (1973) Sol Phys 28:125Google Scholar
  18. 17.
    Kastner SO, Neupert WM, Swarz M (1974) Astrophys J 191:261Google Scholar
  19. 18.
    McKenzie DL, Landecker PB, Feldman U, Doschek GA (1985) Astrophys J 289:849Google Scholar
  20. 19.
    Kononov E Ya, Koshelev KN, Podobedova LI, Chekalin SV, Churilov SS (1976) J Phys B 9:565Google Scholar
  21. 20.
    Boiko VA, Faenov A Ya, Pikuz SA (1978) J Quant Spectros Radiat Transfer 19:11Google Scholar
  22. 21.
    Bromage GE, Cowan RD, Fawcett BC, Ridgeley A (1978) J Opt Soc Am 68:48Google Scholar
  23. 22.
    Hinnov E (1976) Phys Rev A 14:1533Google Scholar
  24. 23.
    Hinnov E (1979) Astrophys J 230:L179Google Scholar
  25. 24.
    Suckewer S, Hinnov E (1979) Phys Rev A 20:578Google Scholar
  26. 25.
    Morton DC, Smith WH (1973) Astrophys J Suppl 26:333Google Scholar
  27. 26.
    Keenan FP, Tayal SS, Kingston AE (1984) Sol Phys 92:75Google Scholar
  28. 27.
    Stavrakas TA, Lee WR (1982) J Phys B 15:1939Google Scholar
  29. 28.
    Dosckek DA, Feldman U, Seely JF (1985) Mon Not Roy Astron Soc 217:317Google Scholar
  30. 29.
    Stebbings RF, Dunning FB (eds) (1982) Rydberg states of atoms and molecules. Cambridge University, Cambridge, EnglandGoogle Scholar
  31. 30.
    Fawcett BC (1986) At Data Nucl Data Tables 35:186; 204Google Scholar
  32. 31.
    Dufton PL, Hibbert A, Kingston AE, Tulley JA (1983) Mon Not Roy Astron Soc 202:145Google Scholar
  33. 32.
    Patchett BE, Norman K, Gabriel AH, Culhane JL (1981) Space Sc Rev. 29:431Google Scholar
  34. 33.
    Shull JM, Snow TP, York DG (1981) Astrophys J 246:549Google Scholar
  35. 34.
    Bohlin RC, Hill JK, Jenkins EB, Savage BD, Snow TP, Spitzer L, York DG (1983) Astrophys J Suppl 51:277Google Scholar
  36. 35.
    Broadfoot AL et al (1979) Science 204:979Google Scholar
  37. 36.
    Ho YK, Henry RJW (1984) Astrophys J 282:816Google Scholar
  38. 37.
    Jöhnsson G, Lundberg H (1983) Z Phys A 313:151Google Scholar
  39. 38.
    Jöhnsson G, Kröll S, Lundberg H, Svanberg S (1984) Z Phys A 316:259Google Scholar
  40. 39.
    Burrman EP, Dönzelmann A, Hansen JE, Snoek C (1986) Astron Astrophys 164:179Google Scholar
  41. 40.
    Weiss AW (1974) Phys Rev A 9:1524Google Scholar
  42. 41.
    Baluja KL, Hibbert A (1980) J Phys B 13:L327Google Scholar
  43. 42.
    Glass R (1979) J Phys B 12:2953Google Scholar
  44. 43.
    Fawcett BC (1983) At Data Nucl Data Tables 28:557Google Scholar
  45. 44.
    Aashamar K, Luke TM, Talman JD (1984) Phys Scr 30:121; (1979) J Phys B 12:3455Google Scholar
  46. 45.
    Nussbaumer H (1977) Astron Astrophys 58:291Google Scholar
  47. 46.
    Artru MC, Jamar, C, Petrini D, Praderie F (1981) Astron Astrophys Suppl 44:171Google Scholar
  48. 47.
    Hibbert A (1986) J Phys B 19:L455Google Scholar
  49. 48.
    McGuire EJ (1986) Phys Rev A 33:1492Google Scholar
  50. 49.
    Froese Fischer C (1976) Can J Phys 54:740Google Scholar
  51. 50.
    Froese Fischer C (1978) Can J Phys 56:983Google Scholar
  52. 51.
    Froese Fischer C (1981) Phys Scr 23:38Google Scholar
  53. 52.
    Farrag A, Luc Koenig E, Sinzelle J (1982) At Data Nucl Data Tables 27:539; (1981) J Phys B 14:3325Google Scholar
  54. 53.
    Bhadra K, Henry RJW (1980) Astrophys J 240:368Google Scholar
  55. 54.
    Mukherjee PK, Moitra RK (1978) J Phys B 11:2813Google Scholar
  56. 55.
    Kundu B, Mukherjee PK (1985) Astrophys J 298:844Google Scholar
  57. 56.
    Kundu B, Ray D, Mukherjee PK (1986) Phys Rev A 34:62Google Scholar
  58. 57.
    Kundu B, Mukherjee PK (1986) Theor Chim Acta 69:51Google Scholar
  59. 58.
    Kundu B, Mukherjee PK (1987) Phys Rev A 35:980Google Scholar
  60. 59.
    Roy HP, Gupta A, Mukherjee PK (1975) Int J Quantum Chem 9:75Google Scholar
  61. 60.
    Miller TM, Bederson B (1977) Adv At Mol Phys 13:1Google Scholar
  62. 61.
    Davidson ER, Feller D (1986) Chem Rev 86:681Google Scholar
  63. 62.
    Caves TC, Karplus M (1969) J Chem Phys 50:3649Google Scholar
  64. 63.
    McCurdy CW, Rescigno TN, Yeager DL, McKoy V (1977) In: Schaefer HF III (ed) Methods of electronic structure theory. Plenum Press, New York, p 339Google Scholar
  65. 64.
    Roothaan CCJ (1960) Rev Mod Phys 32:179Google Scholar
  66. 65.
    Clementi E, Roetti C (1974) At Data Nucl Data Tables 14:177Google Scholar
  67. 66.
    Roy HP, Gupta, A, Mukherjee PK (1977) Int J Quantum Chem 12:1Google Scholar
  68. 67.
    Moore CE (1947) Atomic energy levels, NBS Circular vol 1 no 467, Washington DCGoogle Scholar
  69. 68.
    Bashkin S, Stoner JO Jr (1975) Atomic energy levels and Grottrain diagrams, vol. 1 North Holland, Amsterdam; (1978) ibid vol 2Google Scholar
  70. 69.
    Fano U, Cooper JW (1968) Rev Mod Phys 40:441Google Scholar
  71. 70.
    Wiese WL, Smith MW, Miles BM (1969) Atomic transition probabilities, vol. 2. NSRDS-NBS 22, Washington DCGoogle Scholar
  72. 71.
    Tatewaki H (1978) Phys Rev A 18:1826Google Scholar
  73. 72.
    Tatewaki H, Sasaki F (1978) Phys Rev A 18:1837Google Scholar
  74. 73.
    Cowan RD, Radzeimaski LJ Jr, Kaufman V (1974) J Opt Soc Am 64:1474Google Scholar
  75. 74.
    Hansen JE (1977) J Opt Soc Am 67:754Google Scholar
  76. 75.
    Cowan RD, Hansen JE (1981) J Opt Soc Am 71:60Google Scholar
  77. 76.
    Ruscic B, Berkowitz J (1983) Phys Rev Lett 50:675Google Scholar
  78. 77.
    Hansen E, Cowan RD, Carter SL, Kelly HP (1984) Phys Rev A 30:1540Google Scholar
  79. 78.
    Garcia G, Campos J (1985) J Quant Spectros Radiat Transfer 34:85, and references cited thereinGoogle Scholar

Copyright information

© Springer-Verlag 1988

Authors and Affiliations

  • P. K. Mukherjee
    • 1
  • K. Ohtsuki
    • 1
  • K. Ohno
    • 1
  1. 1.Department of Chemistry, Faculty of ScienceHokkaido UniversitySapporoJapan

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