Skip to main content
SpringerLink
Log in

Orbits and induced representations in the quantum chemistry of nanostructures

  • Electronic Structure
  • Published:
Russian Journal of Inorganic Chemistry Aims and scope Submit manuscript

Abstract

Induced representations are applied to analyze the structures and electronic configurations of complex chemical systems with symmetry subgroups. A correlation is established between the local atomic symmetry and the number of equivalent atoms in a nanoparticle. A procedure is developed for finding additive quantum numbers for molecular orbitals based on the transitivity of induction.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Similar content being viewed by others

References

  1. M. Damnjanovic, T. Vukovic, and I. Milosevic, J. Phys. A: Math. Gen. 33(37), 6561 (2000).

    Article  Google Scholar 

  2. E. F. Kustov and V. I. Nefedov, Dokl. Akad. Nauk 410(2), 211 (2006).

    Google Scholar 

  3. S. L. Altman, Induced Representation in Crystals and Molecules. Point, Space, and Nonrigid Molecule Groups (Academic, London, 1977).

    Google Scholar 

  4. V. G. Yarzhemsky and E. N. Murav’ev, Dokl. Akad. Nauk SSSR 278(4), 945 (1984).

    Google Scholar 

  5. V. P. Smirnov and R. A. Evarestov, Vestn. Leningr. Univ., No. 22, 107 (1981).

  6. K. S. Chan and D. J. Newman, J. Phys. A: Math. Gen. 17, 253 (1984).

    Article  CAS  Google Scholar 

  7. V. G. Yarzhemsky, Few-Body Systems 22, 27 (1997).

    Article  CAS  Google Scholar 

  8. M. E. Dyatkina, The Fundamentals of Molecular Orbital Theory (Nauka, Moscow, 1975) [in Russian].

    Google Scholar 

  9. C. Ballhausen, Introduction to Ligand Field Theory (McGraw-Hill, New York, 1962; Mir, Moscow, 1964).

    Google Scholar 

  10. C. Curtis and I. Reiner, Representation Theory of Finite Groups and Associative Algebras (Interscience, New York, 1962; Nauka, Moscow, 1969).

    Google Scholar 

  11. O. V. Kovalev, Irreducible and Induced Representations and Corepresentations of Fedorov Groups (Nauka, Moscow, 1986) [in Russian].

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Leninskii pr. 31, Moscow, 119991, Russia

    V. G. Yarzhemsky & E. N. Murav’ev

Authors
  1. V. G. Yarzhemsky
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. E. N. Murav’ev
    View author publications

    You can also search for this author in PubMed Google Scholar

Additional information

Original Russian Text © V.G. Yarzhemsky, E.N. Murav’ev, 2009, published in Zhurnal Neorganicheskoi Khimii, 2009, Vol. 54, No. 8, pp. 1341–1344.

Rights and permissions

Reprints and permissions

About this article

Cite this article

Yarzhemsky, V.G., Murav’ev, E.N. Orbits and induced representations in the quantum chemistry of nanostructures. Russ. J. Inorg. Chem. 54, 1273–1276 (2009). https://doi.org/10.1134/S0036023609080154

Download citation

  • Received:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0036023609080154

Keywords

Search

Navigation