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Fragment size for calculations on alkaline-earth oxides by the crystal cluster SCF-Xα-RW method

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Literature cited

  1. R. A. Évarestov, E. A. Kotomin, and A. N. Ermoshchkin, Molecular Models for Point Defects in Wide-Gap Solids [in Russian], Zinatne, Riga (1983), p. 287.

    Google Scholar 

  2. P. E. Walch and D. E. Ellis, Phys. Rev.,B 8, No. 12, 5920 (1973).

    Google Scholar 

  3. L. M. Brescansin and L. G. Ferreira, Phys. Rev.,B 20, No. 8, 3415 (1979).

    Google Scholar 

  4. A. Fazzio, J. R. Leite, and M. L. de Sequeira, J. Phys. C: Solid State Phys.,12, 3469 (1979).

    Google Scholar 

  5. N. Daude, C. Jouanin, and C. Gout, Phys. Rev.,B 15, No. 4, 2399 (1977).

    Google Scholar 

  6. B. Henderson and J. E. Wertz, Taylor and Francis, Ltd., London (1977).

  7. J. Yamashita and S. Asano, J. Phys. Soc. Jpn.,28, No. 5, 1143 (1970).

    Google Scholar 

  8. S. T. Pantelides, D. J. Mikish, and A. B. Kunz, Solid State Commun.,15, 203 (1974).

    Google Scholar 

  9. S. Y. Fong, W. Saslow, and M. L. Cohen, Phys. Rev.,168, 992 (1968).

    Google Scholar 

  10. E. V. Zarochentsev and E. Ya. Fain, Fiz. Tverd. Tela,17, No. 7, 2058 (1975).

    Google Scholar 

  11. J. A. Tossel, J. Phys. Chem. Solids,36, 1273 (1975).

    Google Scholar 

  12. C. Satoko, M. Tsukada, and H. Adachi, J. Phys. Soc. Jpn.,45, 1333 (1978).

    Google Scholar 

  13. R. A. Evarestov, E. A. Kotomin, and A. N. Ermoshkin, Phys. Status Solidi,B 72, 787 (1975).

    Google Scholar 

  14. K. H. Johnson, Adv. Quantum Chem.,7, 143 (1973).

    Google Scholar 

  15. N. Rösch and J. Ladik, Chem. Phys.,13, 285 (1976).

    Google Scholar 

  16. F. Herman, A. R. Williams, and K. H. Johnson, J. Chem. Phys.,61, No. 9, 3508 (1974).

    Google Scholar 

  17. V. V. Dyakin, R. F. Egorov, and V. P. Shirokovskii, Phys. Status Solidi,B 36, 447 (1969).

    Google Scholar 

  18. H. Chermette and C. Pedrini, J. Chem. Phys.,77, 2460 (1982).

    Google Scholar 

  19. H. Chermette and C. Pedrini, J. Chem. Phys.,75, 1869 (1981).

    Google Scholar 

  20. J. Ziman, The Principles of Solid-State Theory [Russian translation], Mir, Moscow (1974).

    Google Scholar 

  21. J. C. Norman, Jr., J. Chem. Phys.,61, 4630 (1974).

    Google Scholar 

  22. R. C. Whited and W. C. Walker, Phys. Rev. Lett.,22, 1428 (1969).

    Google Scholar 

  23. V. A. Fomichev, T. M. Zimkina, and I. I. Zhukova, Fiz. Tverd. Tela,10, 3073 (1968).

    Google Scholar 

  24. S. P. Kowalzyk, F. R. Feely, and L. Ley, Solid State Commun.,23, 161 (1977).

    Google Scholar 

  25. D. R. Salahub and R. P. Messmer, Phys. Rev.,B 16, 2526 (1977).

    Google Scholar 

  26. L. M. Sheludchenko, Yu. N. Kucherenko, and V. G. Aleshin, J. Phys. Chem. Solids,42, 733 (1981).

    Google Scholar 

  27. G. Vidal-Valat, J. P. Vidal, and K. Kurki-Suonio, Acta Crystallogr.,A 34, 594 (1978).

    Google Scholar 

  28. T. P. Das, A. N. Jette, and R. S. Knox, Phys. Rev.,134, 1079 (1964).

    Google Scholar 

  29. K. P. Schwarz, Phys. Rev.,B 5, 2466 (1972).

    Google Scholar 

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Translated from Zhurnal Strukturnoi Khimii, Vol. 27, No. 6, pp. 3–12, November–December, 1986.

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Lobach, V.A., Sobolev, A.B. & Shul'gin, B.V. Fragment size for calculations on alkaline-earth oxides by the crystal cluster SCF-Xα-RW method. J Struct Chem 27, 847–855 (1986). https://doi.org/10.1007/BF00755191

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  • DOI: https://doi.org/10.1007/BF00755191

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