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Calculation of alkaline metal dimers in terms of model perturbation theory

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Abstract

The problem of calculating diatomic alkaline metal (homo- and heteronuclear) molecules KM (M=Li, Na, K, Rb, Cs) is treated in terms of a pseudopotential approach in the framework of a formally exact model perturbation theory of Rayleigh-Schrödinger type with a test zero-order potential. A Gell-Mann type local model potential is used as a zero-order potential. The results of calculations of energy parameters, in particular, dissociation energies, are given; some of them were obtained for the first time. The calculation demonstrated that two major effects of second-order perturbation theory: polarizing interaction of valence particles across the core and mutual screening of particles must be taken into account to achieve an acceptable accuracy of calculations.

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References

  1. K. P. Huber and G. Herzberg,Constants of Diatomic Molecules, Van Nostrand, New York (1979).

    Google Scholar 

  2. E. E. Nikitin and S. Ya. Umanskii,Itogi Nauki Tekh., Stroen. Molek. Khim. Svyaz, No. 4 (1980).

  3. H. Haberland, Y. T. Lee, and P. E. Siska,Excited States in Chemical Physics, in:Adv. Chem. Phys., Vol. 2, J. W. McGowan (ed.), Wiley, New York (1981),45, No. 6, pp. 457–478.

    Google Scholar 

  4. Ph. Durand and J. P. Malriew,Ab Initio Methods of Quantum Chemistry, Wiley, New York (1987).

    Google Scholar 

  5. P. Gombas,Pseudopotentiale, Springer, Berlin (1967).

    Google Scholar 

  6. M. Frauss and W. Stevens,J. Chem. Phys.,93, No. 6, 4236–4242 (1990).

    Article  Google Scholar 

  7. G. M. Rohlfing and P. J. Hay, ibid.,83, No. 9, 4641–4649 (1985).

    Article  CAS  Google Scholar 

  8. L. Bellomonte, F. Cavaliere, and G. Ferrante, ibid.,61, No. 8, 3225–2334 (1974).

    Article  CAS  Google Scholar 

  9. C. Bottchar and A. Dalgarno,Proc. R. Soc. Lond., A,340, 187–196 (1974).

    Article  Google Scholar 

  10. G. K. Ivanov,Teor. Éksp. Khim.,14, No. 1, 110–115 (1978).

    Google Scholar 

  11. A. V. Nemukhin and N. F. Stepanov,Vestn. Mosk. Gos. Univ., Ser. 2. Khim.,18, No. 3, 282–286 (1977).

    CAS  Google Scholar 

  12. O. V. Gritsenko and G. M. Zhidomirov,Zh. Strukt. Khim.,28, No. 2, 140–178 (1987).

    CAS  Google Scholar 

  13. A. V. Glushkov, ibid.,34, No. 5, 3–10 (1993).

    CAS  Google Scholar 

  14. A. V. Glushkov, ibid.,36, No. 4, 608–614 (1995).

    CAS  Google Scholar 

  15. A. V. Glushkov, ibid.,29, No. 4, 3–10 (1988);30, No. 6, 3–6 (1989);31, No. 1, 11–14 (1990);30, No. 4, 11–16 (1990).

    CAS  Google Scholar 

  16. A. V. Glushkov, N. N. Dudnik, and S. V. Malinovskaya, ibid.,29, No. 1, 165–167 (1988).

    Google Scholar 

  17. A. V. Glushkov and A. V. Malinovskaya,Zh. Fiz. Khim.,62, No. 1, 100–105 (1988).

    CAS  Google Scholar 

  18. A. V. Glushkov, ibid.,63, No. 11, 2895–2898 (1989);64, No. 11, 3100–3103 (1990);65, No. 11, 2970–2977 (1991).

    Google Scholar 

  19. A. V. Glushkov,Opt. Spektrosk.,77, No. 1, 5–10 (1994).

    CAS  Google Scholar 

  20. A. V. Glushkov,Izv. Vyssh. Uchebn. Zaved., Fiz.,33, 41–46 (1990);35, No. 10, 3–9 (1992);37, No. 6, 41–48 (1994).

    CAS  Google Scholar 

  21. A. V. Glushkov, S. V. Ambrosov, T. V. Buyadji, et al.,Zh. Prikl. Spektrosk.,64, No. 2, 260–263.

  22. V. V. Tolmachev,Adv. Chem. Phys.,14, 421–482 (1969).

    Article  CAS  Google Scholar 

  23. V. V. Tolmachev, L. N. Ivanov, and E. P. Ivanova,Izv. Vyssh. Uchebn. Zaved., Fiz., No. 12, 84–89 (1969).

  24. A. V. Glushkov, L. N. Ivanov, and E. P. Ivanova,Self-Ionization Phenomena in Atoms [in Russian], Moscow University Press, Moscow (1986), p. 58.

    Google Scholar 

  25. V. S. Letochov and L. N. Ivanov,Commun. At. Mol. Phys. D, No. 4, 169–192 (1985).

  26. E. P. Ivanova, L. N. Ivanov, A. V. Glushkov, and A. E. Kramida,Phys. Scripta,32, No. 4, 512–524 (1985).

    Google Scholar 

  27. A. V. Glushkov and E. P. Ivanova,J. Quant. Spectr. Rad. Transf.,36, No. 2, 127–145 (1986).

    Article  Google Scholar 

  28. A. V. Glushkov and L. N. Ivanov,Phys. Lett. A,170, No. 1, 33–36 (1992).

    Article  CAS  Google Scholar 

  29. A. V. Glushkov,Pisma Zh. Éksp. Teor. Fiz.,55, No. 2, 104–107 (1992).

    Google Scholar 

  30. A. V. Glushkov and L. N. Ivanov,J. Phys. B: At. Mol. Opt. Phys.,26, No. 16, L379-L386 (1993).

    Article  CAS  Google Scholar 

  31. M. D. Dolgushin,Zh. Fiz. Khim.,64, No. 12, 3250–3256 (1990).

    Google Scholar 

  32. A. V. Glushkov and Yu. A. Kruglyak,Opt. Spektrosk.,58, No. 5, 1159–1162 (1985).

    Google Scholar 

  33. A. V. Glushkov,Zh. Prikl. Spektrosk.,49, No. 4, 840–843 (1988).

    CAS  Google Scholar 

  34. J. Harris and R. O. Jones,J. Chem. Phys.,68, No. 4, 1190–1198 (1978).

    Article  CAS  Google Scholar 

  35. K. Miller and A. E. S. Green, ibid.,60, No. 7, 2426–2432 (1974).

    Article  Google Scholar 

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Authors
  1. A. V. Glushkov
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  2. A. V. Malinovskii
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  3. V. A. Efimov
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  4. A. F. Kivganov
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  5. V. N. Khokhlov
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  6. L. A. Vitavetskaya
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  7. G. A. Borovskaya
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Additional information

Hydrometeorological Institute, Odessa. Translated fromZhurnal Strukturnoi Khimii, Vol. 39, No. 2, pp. 222–230, March–April, 1998.

This work was supported by ISSEP grant No. SPU 071013-1997 (A.V.G.).

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Glushkov, A.V., Malinovskii, A.V., Efimov, V.A. et al. Calculation of alkaline metal dimers in terms of model perturbation theory. J Struct Chem 39, 179–185 (1998). https://doi.org/10.1007/BF02873615

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  • DOI: https://doi.org/10.1007/BF02873615

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