Schröedinger.m: A Mathematica Package for Solving the Time-Independent Schrödinger Equation

John C. Hansen
Southwest State University, Marshall, MN 56258
J. Chem. Educ., 1996, 73 (10), p 924
DOI: 10.1021/ed073p924.1
Publication Date (Web): October 1, 1996

Abstract

Schroedinger.m enables the user of Mathematic, to define a potential and determine bound-state energy eigenvalues for a one-dimensional Hamiltonian. A Windows version of this program has recently been published. Schroedinger.m defines commands in Mathematica to set the potential, solve the Schrödinger equation to obtain both energies and wave functions, display the solutions graphically, and calculate certain integrals involving the wave functions. It is limited to one-dimensional bound-state problems with fixed boundary conditions; it cannot be applied to other one-dimensional problems with periodic boundary conditions. It is well suited to solving the one-dimensional R-dependent Schrödinger equation that describes most diatomic molecular potentials.

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Keywords (Audience):

Graduate Education / Research

Keywords (Domain):

Physical Chemistry

Keywords (Feature):

JCE Software

Keywords (Pedagogy):

Computer-Based Learning

Keywords (Subject):

Quantum Chemistry
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  • Received: August 03, 2009

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