ISSN:
0020-7608
Keywords:
Computational Chemistry and Molecular Modeling
;
Atomic, Molecular and Optical Physics
Source:
Wiley InterScience Backfile Collection 1832-2000
Topics:
Chemistry and Pharmacology
Notes:
A numerical method is developed to obtain sequences of functions converging to the eigenfunctions of a Schrödinger operator in the Hilbert space L2(-∞, ∞), whose norm is used to introduce the criterion of convergence in the norm and we show that it guarantees the accurate computation of expected values of a symmetric operator. The method consists in solving the Dirichlet problem associated to the eigenvalue problem in the interval [-n, n] by the Ritz method, whose convergence to both eigenvalues and eigenfunctions is guaranteed by the compactness criterion. Using the asymptotic perturbation theory in L2(-∞, ∞), we prove the convergence of both eigenvalues and eigenfunctions of the Dirichlet problem to those of the unbounded system when the interval [-n, n] is expanded. The method is applied to the harmonic oscillator, the Mitra potential, as well as to the potential V(r) = r and the Coulomb and Yukawa potentials; in each case, the convergence of eigenvalues and eigenfunctions is shown. © 1993 John Wiley & Sons, Inc.
Additional Material:
10 Tab.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1002/qua.560470602
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