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  Home > JCE Print > Journal of Chemical Education > Issues > 2003  > August  >
Research: Science and Education
The Variation Method and Correlation: A Simple Example
J. Tortajada
Departamento de Química Física, Universidad Complutense de Madrid, Ciudad Universitaria, 28040 Madrid, Spain
Cover
August 2003
Vol. 80 No. 8
p. 927
Abstract
A simple two-dimensional system is used to introduce the variation method in its most general form, namely functional variation. The simplicity of the system makes it easy to apply this procedure and solve wave equations exactly, so that variational and exact solutions can be compared and energy correlation can be calculated exactly. The meaning of correlation is analyzed, and two types of correlation–exchange and intrinsic–are characterized. The influence of the correlation on calculated properties other than energy is discussed.
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A Maple file containing mesh plots is available.
*  Contents JCE2003p0927W.mws (Maple)
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JCE2003p0927W.zip

JCE2003p0927W.sit
More Information
*  Citation
 Tortajada, J. J. Chem. Educ. 2003 80 927.
*  Keywords
 Physical Chemistry; Quantum Chemistry; Theoretical Chemistry
*  History
 Created:
Last Updated:		 June 30, 2003
February 28, 2005
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