Skip to main content
SpringerLink
Log in

On the LCAO Analytical Form of Relativistic Wave Solutions for an Electron in a Multicenter Coulomb Field

  • Published:
Journal of Structural Chemistry Aims and scope Submit manuscript

Abstract

A method to solve the stationary Dirac wave equation for an electron in the multicenter Coulomb field is proposed. It is proved that the analytical solution has the form of a linear combination of atomic spinorbitals. The solution is obtained by means of a momentum representation and the functional relationship with the similar MO LCAO theorem is established for the solution of the Schrödinger equation. The structure of a Hamiltonian matrix in the relativistic eigenvalue problem is examined.

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. B. K. Novosadov. Opt. Spectrosc., 1976, 41, 832–837.

    CAS  Google Scholar 

  2. H. J. Monkhorst and B. Jeziorski. J. Chem. Phys., 1979, 71, 5268.

    Article  CAS  Google Scholar 

  3. L. A. Gribov. J. Struct. Chem., 2010, 51(4), 603–615.

    Article  CAS  Google Scholar 

  4. L. A. Gribov. J. Struct. Chem., 2010, 51(5), 805–809.

    Article  CAS  Google Scholar 

  5. H. A. Bethe. Intermediate Quantum Mechanics. Lecture Notes and Supplements in Physics. W. A. Benjamin. Inc. New York-Amsterdam, 1964.

    Google Scholar 

  6. B. K. Novosadov. J. Mol. Struct., 1979, 52, 119–133.

    Article  CAS  Google Scholar 

  7. V. A. Fock. Izv. AN SSSR. Ser. Mat. Estestv. Nauk, 1935, 2, 169.

    Google Scholar 

  8. T. Shibuya and C. E. Wulfman. Proc. Roy. Soc. London A, 1965, 286, 376–389.

    Article  Google Scholar 

  9. B. K. Novosadov. J. Mol. Struct.: THEOCHEM, 2003, 665, 55–81.

    Article  Google Scholar 

  10. B. K. Novosadov. Methods of Mathematical Physics for Molecular Systems. LIBROKOM: Moscow, 2018.

    Google Scholar 

Download references

Funding

The work was supported by RFBR grants Nos. 15-03-00225 and 2015–2017.

Author information

Authors and Affiliations

  1. Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, Moscow, Russia

    B. K. Novosadov

Authors
  1. B. K. Novosadov
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to B. K. Novosadov.

Ethics declarations

The author declares that he has no conflict of interests.

Additional information

Russian Text © The Author(s), 2020, published in Zhurnal Strukturnoi Khimii, 2020, Vol. 61, No. 4, pp. 533–539.

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Novosadov, B.K. On the LCAO Analytical Form of Relativistic Wave Solutions for an Electron in a Multicenter Coulomb Field. J Struct Chem 61, 503–509 (2020). https://doi.org/10.1134/S0022476620040010

Download citation

  • Received:

  • Revised:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1134/S0022476620040010

Keywords

Search

Navigation