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Perturbation Theory for Atomic and Molecular Properties

  • Stephen Wilson
Chapter
  • 60 Downloads

Abstract

Perturbation theory is the most general and systematic technique for the approximate solution of quantum-mechanical eigenvalue problems. It is assumed that the eigenproblem for some model problem that affords a reasonable zero-order approximate solution to the problem of interest can be solved exactly. A perturbation, H 1, is added to the zero-order Hamiltonian, H 0, associated with the model problem, in order to recover the full Hamiltonian for the system, H. A parameter, λ, is introduced in the Hamiltonian, H= H 0 + λH 1, so as to interpolate between the zero-order Hamiltonian, λ = 0, and the full Hamiltonian, λ = 1. By making expansion in powers of λ for the exact energy and the exact wave function, and then equating the coefficients for each power of λ, a set of equations can be obtained which are then employed to obtain corrections to the zero-order energy and wave function.

Keywords

Perturbation Theory Algebraic Expression Principal Term Energy Coefficient Perturbation Operator 
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 Science+Business Media New York 1992

Authors and Affiliations

  • Stephen Wilson
    • 1
  1. 1.Rutherford Appleton LaboratoryChilton, OxfordshireEngland

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