Skip to main content

Symbolic-Numeric Solution of Boundary-Value Problems for the Schrödinger Equation Using the Finite Element Method: Scattering Problem and Resonance States

  • Conference paper
  • First Online:
Computer Algebra in Scientific Computing (CASC 2015)

Abstract

We present new symbolic-numeric algorithms for solving the Schrödinger equation describing the scattering problem and resonance states. The boundary-value problems are formulated and discretized using the finite element method with interpolating Hermite polynomials, which provide the required continuity of the derivatives of the approximated solutions. The efficiency of the algorithms and programs implemented in the Maple computer algebra system is demonstrated by analysing the scattering problems and resonance states for the Schrödinger equation with continuous (piecewise continuous) real (complex) potentials like single (double) barrier (well).

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

Access this chapter

Chapter
USD 29.95
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
eBook
USD 39.99
Price excludes VAT (USA)
  • Available as PDF
  • Read on any device
  • Instant download
  • Own it forever
Softcover Book
USD 54.99
Price excludes VAT (USA)
  • Compact, lightweight edition
  • Dispatched in 3 to 5 business days
  • Free shipping worldwide - see info

Tax calculation will be finalised at checkout

Purchases are for personal use only

Institutional subscriptions

Preview

Unable to display preview. Download preview PDF.

Unable to display preview. Download preview PDF.

References

  1. Kotlyar, V.V., Kovalev, A.A., Nalimov, A.G.: Gradient microoptical elements for achieving superresolution. Kompyuternaya optika 33, 369–378 (2009). (in Russian)

    Google Scholar 

  2. Rezanur Rakhman, K.M., Sevastyanov, L.A.: One-dimensional scattering problem at stepwise potential with non-coincident asymptotic forms. Vestnik RUDN, ser. Fizika No. 5 (1), 35–38 (1997) (in Russian)

    Google Scholar 

  3. Sevastyanov, L.A., Sevastyanov, A.L., Tyutyunnik, A.A.: Analytical calculations in maple to implement the method of adiabatic modes for modelling smoothly irregular integrated optical waveguide structures. In: Gerdt, V.P., Koepf, W., Seiler, W.M., Vorozhtsov, E.V. (eds.) CASC 2014. LNCS, vol. 8660, pp. 419–431. Springer, Heidelberg (2014)

    Google Scholar 

  4. Chuluunbaatar, O., Gusev, A.A., Gerdt, V.P., Kaschiev, M.S., Rostovtsev, V.A., Samoylov, V., Tupikova, T., Vinitsky, S.I.: A symbolic-numerical algorithm for solving the eigenvalue problem for a hydrogen atom in the magnetic field: cylindrical coordinates. In: Ganzha, V.G., Mayr, E.W., Vorozhtsov, E.V. (eds.) CASC 2007. LNCS, vol. 4770, pp. 118–133. Springer, Heidelberg (2007)

    Google Scholar 

  5. Gusev, A.A., Chuluunbaatar, O., Gerdt, V.P., Rostovtsev, V.A., Vinitsky, S.I., Derbov, V.L., Serov, V.V.: Symbolic-numeric algorithms for computer analysis of spheroidal quantum dot models. In: Gerdt, V.P., Koepf, W., Mayr, E.W., Vorozhtsov, E.V. (eds.) CASC 2010. LNCS, vol. 6244, pp. 106–122. Springer, Heidelberg (2010)

    Google Scholar 

  6. Gusev, A.A., Vinitsky, S.I., Chuluunbaatar, O., Gerdt, V.P., Rostovtsev, V.A.: Symbolic-numerical algorithms to solve the quantum tunneling problem for a coupled pair of ions. In: Gerdt, V.P., Koepf, W., Mayr, E.W., Vorozhtsov, E.V. (eds.) CASC 2011. LNCS, vol. 6885, pp. 175–191. Springer, Heidelberg (2011)

    Google Scholar 

  7. Vinitsky, S., Gusev, A., Chuluunbaatar, O., Rostovtsev, V., Le Hai, L., Derbov, V., Krassovitskiy, P.: Symbolic-numerical algorithm for generating cluster eigenfunctions: tunneling of clusters through repulsive barriers. In: Gerdt, V.P., Koepf, W., Mayr, E.W., Vorozhtsov, E.V. (eds.) CASC 2013. LNCS, vol. 8136, pp. 427–442. Springer, Heidelberg (2013)

    Google Scholar 

  8. Vinitsky, S., Gusev, A., Chuluunbaatar, O., Le Hai, L., Góźdź, A., Derbov, V., Krassovitskiy, P.: Symbolic-numeric algorithm for solving the problem of quantum tunneling of a diatomic molecule through repulsive barriers. In: Gerdt, V.P., Koepf, W., Seiler, W.M., Vorozhtsov, E.V. (eds.) CASC 2014. LNCS, vol. 8660, pp. 472–490. Springer, Heidelberg (2014)

    Google Scholar 

  9. Gusev, A.A., Chuluunbaatar, O., Vinitsky, S.I., Abrashkevich, A.G.: KANTBP 3.0: New version of a program for computing energy levels, reflection and transmission matrices, and corresponding wave functions in the coupled-channel adiabatic approach. Comput. Phys. Commun. 185, 3341–3343 (2014)

    Google Scholar 

  10. Molinàs-Mata, P., Molinàs-Mata, P.: Electron absorption by complex potentials: One-dimensional case. One-dimensional case. Phys. Rev. A 54, 2060–2065 (1996)

    Google Scholar 

  11. Ahmed, Z.: Schrödinger transmission through one-dimensional complex potentials. Phys. Rev. A 64, 042716 (2001)

    Google Scholar 

  12. Ahmed, Z.: Real and complex discrete eigenvalues in an exactly solvable one-dimensional complex PT -invariant potential. Phys. Lett. A 282, 343–348 (2001)

    Google Scholar 

  13. Cerveró, J.M., Rodríguez, A.: Absorption in atomic wires. Phys. Rev. A 70, 052705 (2004)

    Google Scholar 

  14. Muga, J.G., Palao, J.P., Navarro, B., Egusquiza, I.L.: Complex absorbing potentials. Phys. Reports 395, 357–426 (2004)

    Google Scholar 

  15. Cannata, F., Dedonder, J.-P., Ventura, A.: Scattering in PT-symmetric quantum mechanics. Annals of Physics 322, 397–433 (2007)

    Google Scholar 

  16. Becker, E.B., Carey, G.F., Oden, T.J.: Finite elements. An introduction, vol. I. Prentice-Hall Inc., Englewood Cliffs (1981)

    Google Scholar 

  17. Ram-Mohan, R.L.: Finite Element and Boundary Element Aplications in Quantum Mechanics. Oxford University Press, New York (2002)

    Google Scholar 

  18. Amodio, P., Blinkov, Y., Gerdt, V., La Scala, R.: On consistency of finite difference approximations to the navier-stokes equations. In: Gerdt, V.P., Koepf, W., Mayr, E.W., Vorozhtsov, E.V. (eds.) CASC 2013. LNCS, vol. 8136, pp. 46–60. Springer, Heidelberg (2013)

    Google Scholar 

  19. Gusev, A.A., Chuluunbaatar, O., Vinitsky, S.I., Derbov, V.L., Góźdź, A., Le Hai, L., Rostovtsev, V.A.: Symbolic-numerical solution of boundary-value problems with self-adjoint second-order differential equation using the finite element method with interpolation hermite polynomials. In: Gerdt, V.P., Koepf, W., Seiler, W.M., Vorozhtsov, E.V. (eds.) CASC 2014. LNCS, vol. 8660, pp. 138–154. Springer, Heidelberg (2014)

    Google Scholar 

  20. Berezin, I.S., Zhidkov, N.P.: Computing Methods, vol. I. Pergamon Press, Oxford (1965)

    Google Scholar 

  21. Strang, G., Fix, G.J.: An Analysis of the Finite Element Method. Prentice-Hall, Englewood Cliffs (1973)

    Google Scholar 

  22. Kukulin, V.I., Krasnopol’sky, V.M., Horáček, J.: Theory of Resonances, pp. 107–112. Academia, Praha (1989)

    Google Scholar 

  23. Siegert, A.J.F.: On the derivation of the dispersion formula for nuclear reactions. Phys. Rev. 56, 750–752 (1939)

    Google Scholar 

  24. Ermakov, V.V., Kalitkin, N.N.: The optimal step and regularization for Newton’s method. USSR Computational Mathematics and Mathematical Physics 21, 235–242 (1981)

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Corresponding author

Correspondence to A. A. Gusev .

Editor information

Editors and Affiliations

Rights and permissions

Reprints and permissions

Copyright information

© 2015 Springer International Publishing Switzerland

About this paper

Cite this paper

Gusev, A.A. et al. (2015). Symbolic-Numeric Solution of Boundary-Value Problems for the Schrödinger Equation Using the Finite Element Method: Scattering Problem and Resonance States. In: Gerdt, V., Koepf, W., Seiler, W., Vorozhtsov, E. (eds) Computer Algebra in Scientific Computing. CASC 2015. Lecture Notes in Computer Science(), vol 9301. Springer, Cham. https://doi.org/10.1007/978-3-319-24021-3_14

Download citation

  • DOI: https://doi.org/10.1007/978-3-319-24021-3_14

  • Published:

  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-24020-6

  • Online ISBN: 978-3-319-24021-3

  • eBook Packages: Computer ScienceComputer Science (R0)

Publish with us

Policies and ethics