Skip to main content
SpringerLink
Log in

A misconception concerning the electronic density distribution of an atom

  • Relationes
  • Published:
Theoretica chimica acta Aims and scope Submit manuscript

Abstract

It is shown that the electronic charge density of a ground-state atom decreases monotonically as a function of radial distance from the nucleus, contrary to the widespread belief that the shell structure is reflected by relative maxima in the density. Any proposed relationship between chemical bonding and the maxima in the radial density functions of atoms should therefore be regarded with caution. It is proven that the electrostatic potential of an atom must be monotonically decreasing. The changes in charge distribution upon molecule formation are also discussed.

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. Eyring,H., Walter,J., Kimball,G.E.: Quantum chemistry, pp. 166–167. New York: John Wiley & Sons 1944; Moeller,T.: Inorganic chemistry, p. 129. New York: John Wiley & Sons 1952; Atkins,P.W.: Molecular quantum mechanics, p. 261. Oxford: Clarendon Press 1970; Levine,I.N.: Quantum chemistry, Vol. I, p. 287. Boston: Allyn and Bacon 1970

    Google Scholar 

  2. Goodisman,J.: Theoret. Chim. Acta (Berl.)31, 101 (1973)

    Google Scholar 

  3. Dementi,E.: Tables of atomic wave functions. San Jose, Calif.: International Business Machines Corp. 1965

    Google Scholar 

  4. Cohen,M., Dalgarno,A.: Proc. Phys. Soc.77, 748 (1961); Kern,C.W., Karplus,M.: J. Chem. Phys.40, 1374 (1964)

    Google Scholar 

  5. Sperber,G.: Intern. J. Quantum Chem.5, 189 (1971)

    Google Scholar 

  6. Weeks,J.D., Hazi,A., Rice,S.A.: Advan. Chem. Phys.16, 283 (1969); Simons,G.: J. Chem. Phys.55, 756 (1971)

    Google Scholar 

  7. Slater,J.C.: Phys. Rev.36, 57 (1930); Slater,J.C.: J. Chem. Phys.41, 3199 (1964)

    Google Scholar 

  8. Clementi,E., Raimondi,D.L., Reinhardt,W.P.: J. Chem. Phys.47, 1300 (1967)

    Google Scholar 

  9. Mulliken,R.S.: J. Am. Chem. Soc.72, 4493 (1950)

    Google Scholar 

  10. See, for example: Bader,R.F.W., Henneker,W.H., Cade,P.E.: J. Chem. Phys.46, 3341 (1967); Ransil,B.J., Sinai,J.J.: J. Chem. Phys.46, 4050 (1967); Hazelrigg,Jr.,M.J., Politzer,P.: J. Phys. Chem.73, 1008 (1969)

    Google Scholar 

  11. Politzer,P.: Theoret. Chim. Acta (Berl.)16, 120 (1970)

    Google Scholar 

  12. See, for instance: Boyd,D.B.: J. Chem. Phys.52, 4846 (1970); Absar, I., Van Wazer, J. R.: J. Chem. Phys.56, 1284 (1972)

    Google Scholar 

Download references

Author information

Author notes

  1. Harel Weinstein

    Present address: Department of Chemistry, Technion, Haifa, Israel

  2. Peter Politzer

    Present address: Department of Chemistry, University of New Orleans, 70122, New Orleans, Louisiana, USA

  3. Shalom Srebrenik

    Present address: Department of Chemistry, McMaster University, L8S 4M1, Hamilton, Ontario, Canada

Authors and Affiliations

  1. Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland

    Harel Weinstein & Peter Politzer

  2. Department of Chemistry, Technion, Israel Institute of Technology, Haifa

    Shalom Srebrenik

  3. Department of Chemistry, University of New Orleans, 70122, New Orleans, Louisiana, USA

    Peter Politzer

Authors
  1. Harel Weinstein
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Peter Politzer
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Shalom Srebrenik
    View author publications

    You can also search for this author in PubMed Google Scholar

Rights and permissions

Reprints and permissions

About this article

Cite this article

Weinstein, H., Politzer, P. & Srebrenik, S. A misconception concerning the electronic density distribution of an atom. Theoret. Chim. Acta 38, 159–163 (1975). https://doi.org/10.1007/BF00581473

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00581473

Key words

Search

Navigation