DOI: 10.1063/1.456888 ISSN:
The Fourier grid Hamiltonian method for bound state eigenvalues and eigenfunctions
C. Clay Marston, Gabriel G. Balint-Kurti- Physical and Theoretical Chemistry
- General Physics and Astronomy
A new method for the calculation of bound state eigenvalues and eigenfunctions of the Schrödinger equation is presented. The Fourier grid Hamiltonian method is derived from the discrete Fourier transform algorithm. Its implementation and use is extremely simple, requiring the evaluation of the potential only at certain grid points and yielding directly the amplitude of the eigenfunctions at the same grid points.