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Faddeev-Born-Oppenheimer Equations for Molecular Three-Body Systems: Application to H2+

  • A. C. Fonseca
  • M. T. Pe͂na
Part of the Few-Body Systems book series (FEWBODY, volume 2)

Abstract

A non variational molecular like approach is developed for the three-body problem based on the Faddeev equations. Considering a system of two identical heavy particles (atomic nuclei) and a light one (electron) we study the adiabatic limit of the corresponding Faddeev equation in the absence of interaction between the heavy particles and using general heavy-light potentials that are represented in a separable form through Sturmian functions. The resulting rotationally invariant Faddeev two-center eigenfunctions are used to formulate an ansatz for the solution of the full Hamiltonian where all three particles interact. A set of coupled differential Born-Oppenheimer like equations is obtained for the movement of the heavy particles. Numerical calculations are shown for the 1sσg, 2sσg, 3dσg and 2pσu electronic states in 2 + . The resulting molecular energy curves converge to the exact ones when up to thirty six terms are used in the Hilbert-Schmidt expansion of the Coulomb potential. The non-crossing rule for 2sσg and 3dσg curves is verified.

Keywords

Heavy Particle Total Angular Momentum Faddeev Equation Separable Form Digit Accuracy 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer-Verlag 1987

Authors and Affiliations

  • A. C. Fonseca
    • 1
  • M. T. Pe͂na
    • 1
  1. 1.Centro Física NuclearLisbonPortugal

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