Trigonometric Interpolation Method for One-Dimensional Quantum-Mechanical Problems
- 15 February 1970
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 52 (4) , 2053-2059
- https://doi.org/10.1063/1.1673259
Abstract
A rapidly converging difference method, based on harmonic analysis, is described. It can be applied to periodic or nonperiodic bound‐state problems of the general Sturm–Liouville type. Numerical examples for the Mathieu problem and for the harmonic oscillator show considerable accuracy. Advantages and disadvantages of the method are discussed in a comparison with Harris's matrix transformation technique and with direct integration methods. The set of difference equations representing a quantum‐mechanical problem constitutes a symmetric matrix eigenvalue problem which is approximately equivalent to the algebraic problem obtained by using a finite trigonometric basis. Basis functions associated with the difference method are related to the Dirichlet kernel. In an approximation which corresponds to the difference method, these basis functions can be treated in a similar way as Dirac's function.
Keywords
This publication has 9 references indexed in Scilit:
- New Method for Constructing Wavefunctions for Bound States and ScatteringThe Journal of Chemical Physics, 1969
- Calculation of Matrix Elements for One-Dimensional Quantum-Mechanical ProblemsThe Journal of Chemical Physics, 1968
- Numerical techniques in matrix mechanicsJournal of Computational Physics, 1967
- Rayleigh-Ritz Approximation by Piecewise Cubic PolynomialsSIAM Journal on Numerical Analysis, 1966
- Intermolecular Potentials and the Infrared Spectrum of the Molecular Complex (H2)2The Journal of Chemical Physics, 1966
- Calculation of Matrix Elements for One-Dimensional Quantum-Mechanical Problems and the Application to Anharmonic OscillatorsThe Journal of Chemical Physics, 1965
- Testing of Diatomic Potential-Energy Functions by Numerical MethodsThe Journal of Chemical Physics, 1963
- Efficient method for solving atomic Schroedinger’s equationMathematics of Computation, 1959
- On the numerical solution of Sturm-Liouville differential equationsMathematics of Computation, 1957