Skip to main content
SpringerLink
Log in

Critical level topology of energy hypersurfaces

  • Original Investigations
  • Published:
Theoretica chimica acta Aims and scope Submit manuscript

Abstract

Topologies are introduced into the nuclear configuration space R of molecular systems, based upon equipotential contour hypersurfaces on the otential energy hypersurface E. Critical level topologies T fc and T fc′, based upon the number and distribution of various critical points of E, are of particular importance, since they represent convenient yet rigorous mathematical models for relations between elementary reaction mechanisms, and for relations between open sets of nuclear geometries which are classically accessible at a given total energy.

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. Mezey, P. G.: Theoret. Chim. Acta (Berl.), 54, 95 (1980)

    Google Scholar 

  2. Mezey, P. G.: Theofet. Chim. Acta (Berl.), 58, 309 (1981); Mezey, P. G.: to be published

    Google Scholar 

  3. Morse, M.: Calculus of variations in the large. Amer. Math. Soc. Colloquium Publ. Vol. 18, 1934

  4. Murrell, J. N. Laidler, K. J.: Trans. Faraday Soc. 64, 371 (1968)

    Google Scholar 

  5. Mezey, P. G.: Analysis of conformational energy hypersurfaces, In Progr. Theor. Org. Chem. 2, 127 (1977)

    Google Scholar 

  6. Mezey, P. G.: Optimization and analysis of energy hypersurfaces. Proc. A.S.I. Theoretical Chemistry 1980. New York: Reidel Publ. Co., in press

  7. Tal, Y., Bader, R. F. W., Nguyen-Dang, T. T., Ojha, M., Anderson, S. G.: J. Chem. Phys. 74, 5162 (1981)

    Google Scholar 

  8. Bader, R. F. W.: J. Chem. Phys. 73, 2871 (1980); Tal, Y., Bader, R. F. W., Erkku, J.: Phys. Rev. A21, 1 (1980)

    Google Scholar 

  9. Mezey, P. G.: submitted

  10. Davidson, E. R.: J. Am. Chem. Soc. 99, 397 (1977)

    Google Scholar 

  11. Mezey, P. G.: Chem. Phys. Letters 47, 70 (1977)

    Google Scholar 

  12. Mezey, P. G., Kapur, A.: Can. J. Chem. 58, 559 (1980)

    Google Scholar 

  13. Mezey, P. G.: Chem. Phys. Letters 82, 100 (1981)

    Google Scholar 

  14. Morse, M., Cairns, S. S.: Critical point theory in global analysis and differential topology. New York: Academic Press 1969

    Google Scholar 

  15. Milnor, J.: Morse theory, Annals of Math. Studies, Vol. 51, Princeton Univ. Press 1973

  16. Munkres, J.: Elementary differential topology. Annals of Math. Studies, Vol. 54, Princeton: Princeton Univ. Press 1963

    Google Scholar 

  17. Guillemin, V., Pollack, A.: Differential topology. Englewood Cliffs: Prentice-Hall 1974

    Google Scholar 

Download references

Author information

Authors and Affiliations

  1. Department of Chemistry and Chemical Engineering, University of Saskatchewan, S7N 0W0, Saskatoon, Canada

    Paul G. Mezey

Authors
  1. Paul G. Mezey
    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

Mezey, P.G. Critical level topology of energy hypersurfaces. Theoret. Chim. Acta 60, 97–110 (1981). https://doi.org/10.1007/BF00550329

Download citation

  • Received:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF00550329

Key words

Search

Navigation