Skip to main content
Log in

Two-step methods for the numerical solution of the Schrödinger equation

Zweischrittmethode zur numerischen Auflösung der Schrödinger-Gleichung

  • Short Communications
  • Published:
Computing Aims and scope Submit manuscript

Abstract

A new two-step exponentially-fitted formula is derived and applied to the Schrödinger equation. The new method is found to significantly more accurate than the standard methods, for large values of the energy.

Zusammenfassung

Für die Schrödinger-Gleichung wird eine neue exponentiell angepaßte Zweischrittmethode hergeleitet und angewendet. Die neue Methode ist für große Werte der Energie bedeutend genauer als die bekannten Methoden.

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. Buckingham, R. A.: Numerical solution of ordinary and partial differential equations (Fox, L., ed.). New York: Pergamon Press 1962.

    Google Scholar 

  2. Cooley, J. W.: An improved eigenvalue corrector formula for solving the Schrödinger equation for central fields. Math. Computation.15, 363–374 (1961).

    Google Scholar 

  3. Ixarou, L. Gr.: Pertubative numerical method to solve the Schrödinger equation. Computer Phys. Commun.20, 97–112 (1980).

    Google Scholar 

  4. Ixarou, L. Gr., Rizea, M.: A Numerov-like scheme for the numerical solution of the Schrödinger equation in the deep continuum spectrum energies. Computer Phys. Commun.19, 23–27 (1980).

    Google Scholar 

  5. Lyche, T.: Chebyshevian multistep methods for ordinary differential equations. Numer. Math.19, 65–74 (1972).

    Google Scholar 

  6. Mohamed, J.: The method of Raptis and Allison with automatic error control. Computer Phys. Commun.20, 309–320 (1980).

    Google Scholar 

  7. Raptis, A., Allison, A. C.: Exponential-fitting methods for the numerical solution of the Schrödinger equation. Computer Phys. Commun.14, 1–5 (1978).

    Google Scholar 

  8. Raptis, A. D.: On the numerical solution of the Schrödinger equation. Computer Phys. Commun.24, 1–4 (1981).

    Google Scholar 

  9. Raptis, A. D.: Numerical solution of coupled differential equations. Ph. D. Thesis, Glasgow University, 1977.

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

About this article

Cite this article

Raptis, A.D. Two-step methods for the numerical solution of the Schrödinger equation. Computing 28, 373–378 (1982). https://doi.org/10.1007/BF02279820

Download citation

  • Received:

  • Revised:

  • Issue Date:

  • DOI: https://doi.org/10.1007/BF02279820

Key words

AMS Subject Classification

Navigation