Skip to main content
Log in

Quantum-chemical calculations of the variance of phonons in crystals: Convergence of results depending on cyclic cluster growth

  • Letters to the Editor
  • Published:
Russian Journal of General Chemistry Aims and scope Submit manuscript

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.

References

  1. Parlinski, K., Li, Z.O., and Kawazoe, Y., Phys. Rev. Lett., 1997, vol. 78, p. 4063.

    Article  CAS  Google Scholar 

  2. Kantorovich, L., Quantum Theory of the Solid State: An Introduction, Dordrecht: Kluwer Academic Publishers, 2004, p. 101.

    Google Scholar 

  3. Dovesi, R., Saunders, V.R., Roetti, C., Orlando, R., Zicovich-Wilson, C.M., Pascale, F., Civalleri, B., Doll, K., Harrison, N.M., Bush, I.J., D’Arco, Ph., and Llunell, M., CRYSTAL-06, Users Manual, University of Turin, 2006.

  4. Schafer, A., Huber, C., and Ahlrichs, R., J. Chem. Phys., 1994, vol. 100, p. 5829.

    Article  Google Scholar 

  5. Becke, A.D., J. Chem. Phys., 1993, vol. 98, p. 5648.

    Article  CAS  Google Scholar 

  6. Dovesi, R., Pascale, F., and Zicovich-Wilson, C.M., Beyond Standard Quantum Chemistry: Applications from Gas to Condensed Phases, ISBN: 978-81-7895-293-2, Hernandez-Lamoneda, R., Ed., 2007.

  7. Togo, A., Oba, F., and Tanaka, I., Phys. Rev. (B.), 2008, vol. 78, p. 134106.

    Google Scholar 

  8. Alfe, D., Price, G.D., and Gillan, M.J., Phys. Rev. (B.), 2001, vol. 64, p. 054123.

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to R. A. Evarestov.

Additional information

Original Russian Text © R.A. Evarestov, M.V. Losev, 2009, published in Zhurnal Obshchei Khimii, 2009, Vol. 79, No. 3, pp. 519–520.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Evarestov, R.A., Losev, M.V. Quantum-chemical calculations of the variance of phonons in crystals: Convergence of results depending on cyclic cluster growth. Russ J Gen Chem 79, 509–510 (2009). https://doi.org/10.1134/S1070363209030281

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S1070363209030281

Keywords

Navigation