A simple algorithm for the numerical solution of the Schroedinger equation for a one-dimensional problem with a generic potential and its practical implementation in a computer program (called Kmonodim) is presented. This approach allows the study of bound states and can be used in a laboratory course of quantum chemistry to study simple model problems or real systems for which analytical solutions cannot be obtained. The Kmonodim program is written using the C++ and Fortran languages: the management of the input and output data is performed through a graphical user interface (GUI) written using the QT/KDE libraries of the Linux KDE graphical client. The program is freely distributed under the GNU General Public License.

Kmonodim: a Program for the Numerical Solution of the One-Dimensional Schroedinger Equation

ANGELI, Celestino;BORINI, Stefano;CIMIRAGLIA, Renzo
2005

Abstract

A simple algorithm for the numerical solution of the Schroedinger equation for a one-dimensional problem with a generic potential and its practical implementation in a computer program (called Kmonodim) is presented. This approach allows the study of bound states and can be used in a laboratory course of quantum chemistry to study simple model problems or real systems for which analytical solutions cannot be obtained. The Kmonodim program is written using the C++ and Fortran languages: the management of the input and output data is performed through a graphical user interface (GUI) written using the QT/KDE libraries of the Linux KDE graphical client. The program is freely distributed under the GNU General Public License.
Angeli, Celestino; Borini, Stefano; Cimiraglia, Renzo
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11392/516408
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