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  Home > JCE Print > Journal of Chemical Education > Issues > 2005  > May  >
Information • Textbooks • Media • Resources
Kmonodim, a Program for the Numerical Solution of the One-Dimensional Schödinger Equation
Celestino Angeli, Stefano Borini, and Renzo Cimiraglia
Dipartimento di Chimica , Università di Ferrara, 44100 Ferrara, Italy
Cover
May 2005
Vol. 82 No. 5
p. 795
Abstract
A simple algorithm for the numerical solution of the Schršdinger 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.
Supplement
The Kmonodim program is available for download.
*  Contents Folder JCE2005p0795W containing instructions for installation (HTML), full documentation (HTML), and program files in a variety of formats.
*  Download
JCE2005p0795W.zip
More Information
*  Citation
 Angeli, Celestino; Borini, Stefano; Cimiraglia, Renzo. J. Chem. Educ. 2005 82 795.
*  Keywords
 CER Quantitative Methods; Computational Chemistry; Physical Chemistry; Quantum Chemistry; Theoretical Chemistry
*  History
 Created:
Last Updated:		 March 28, 2005
April 15, 2005
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