Kmonodim, a program for the numerical solution of the one-dimensional schödinger equation

Journal of Chemical Education

Volumn 82, Issue 5, 2005, Pages 795-800

  Angeli, Celestino ^a   Borini, Stefano ^a   Cimiraglia, Renzo ^a  

^a UNIVERSITY OF FERRARA   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; COMPUTER SIMULATION; EIGENVALUES AND EIGENFUNCTIONS; EXTRAPOLATION; FINITE DIFFERENCE METHOD; HAMILTONIANS; MATRIX ALGEBRA; NUMERICAL ANALYSIS; PHYSICAL CHEMISTRY;

QUANTUM CHEMISTRY; SCHRODINGER EQUATION; SOFTWARE PACKAGE KMONODIM;

QUANTUM THEORY;

EID: 18144401253     PISSN: 00219584     EISSN: None     Source Type: Journal    
DOI: 10.1021/ed082p795     Document Type: Article

References (7)

1. Ercolani, G. J. Chem. Educ. 2000, 77, 1495-1502.
2. Angeli, C.; Belosi, B.; Bergamaschi, G.; Boari, I.; Borini, S.; Braga, S.; Cavallini, A.; Cestari, M.; Dal Colle, M.; Donatoni, M.; Ferrighi, L.; Freguglia, G.; Marmai, S.; Nadalini, G.; Roncarati, E.; Santoro, A.; Sparta, M. manuscript in preparation.
3. Lapack Users' Guide. http://www.netlib.org/lapack/lug/ (accessed Jan 2005).
4. Killingbeck, J. P. Microcomputer Algorithms: Action from Algebra; Adam Hilger; Bristol, United Kingdom, 1991; p 25.
5. Szabo, A.; Ostlund N. S. Modern Quantum Chemistry; Dover Publications Inc.; Mineola, NY, 1996; p 322.
6. Kmonodim Home Page. http://icbe61.unife.it/kmonodim/ (accessed Jan 2005).
7. Gnu General Public License. http://www.gnu.org/copyleft/gpl.html (accessed Jan 2005).