Comment on “Computer Solutions to a Realistic One-Dimensional Schrödinger Equation”

John R. Merrill, Gregory P. Hughes

Charles K. Manka

Alexander Moroz

Francisco Marcelo Fernández, Eduardo Alberto Castro

Jay Sharon Bolemon

An important technique for teaching introductory wave mechanics is provided by the numerical calculation of stationary state solutions of the Schrödinger equation. Realistic problems in wave mechanics that do not require sophisticated computer techniques are very valuable for the instruction of undergraduates. In the central-field model for atoms, the calculation of electron states reduces to the solution of a one-dimensional differential equation whose numerical solutions are no more difficult to obtain than those for a finite square well. A method used by our students is discussed in this paper for the calculation of the electron wavefunctions in a central-field potential. By working this problem, students obtain meaningful results that give them insight into the theory of atomic structure. Results of their experience are included, and possibilities of extending this example are discussed.

Alexander Wurm, J. LaChapelle

The authors comment on the paper by J. LaChapelle, J. Math. Phys. 37, 4310 (1996), and give explicit expressions for the parametrization, its solution, and the Lie derivatives of the Schrödinger equation for the case of n-dimensional spherical coordinates.