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  Home > JCE Print > Journal of Chemical Education > Issues > 1998  > January  >
Research: Science and Education
Exploring the Rayleigh-Ritz Variational Principle
Emili Besalú and Josep Martí
Universitat de Girona, Institut de Química Computacional, Facultat de Ciencies, Campus de Montilivi, C/Albereda 3-5, 17071 Girona, Catalonia, SPAIN
Cover
January 1998
Vol. 75 No. 1
p. 105
Abstract
The particle-in-a-box (PIB) system is used as a simple example in order to illustrate the basis of the quantum variational principle. After the general exposition of the variational principle demonstration, a quadratic polynomial trial function is applied to the PIB hamiltonian and the different steps of the demonstration are followed and reproduced for this particular case.
More Information
*  Citation
 Besalú, Emili; Martí, Josep. J. Chem. Educ. 1998 75 105.
*  Keywords
 Teaching/Learning Theory/Practice, Physical Chemistry, Teaching/Learning Aids, Quantum Chemistry, and Theoretical Chemistry
*  History
 Created:
Last Updated:		 June 28, 1999
June 23, 2005
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