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  Home > JCE Print > Journal of Chemical Education > Issues > 2005  > September  >
Information • Textbooks • Media • Resources
Advanced Chemistry Classroom and Laboratory
Self-Consistent Field Calculations on Atoms Using Excel
Gary G. Hoffman
Department of Chemistry and Biochemistry, Elizabethtown College, Elizabethtown, PA 17022
Cover
September 2005
Vol. 82 No. 9
p. 1418
Abstract
This article is aimed at teachers of physical chemistry. An Excel spreadsheet is described that allows the student to perform self-consistent field calculations on the helium atom with relatively little effort, relegating to the spreadsheet program the complications associated with the numerical techniques needed for this task. At the same time, the student is directly involved in the calculations. This allows the student to see how the computation progresses and how the several parameters influence the computation. The spreadsheet can readily be extended to use more complicated techniques and to analyze larger and more complex atoms.
Supplement
An Excel spreadsheet, suitable for use in a classroom presentation, is available in the JCE WebWare peer-reviewed collection of the JCE Digital Library Only@JCEOnline.
More Information
*  Citation
 Hoffman, Gary G. J. Chem. Educ. 2005 82 1418.
*  Keywords
 Atomic Properties / Structure; Computational Chemistry; Computer-Based Learning; Curriculum; Physical Chemistry; Quantum Chemistry; Textbooks / Reference Books; Theoretical Chemistry; Upper-Division Undergraduate
*  History
 Created:
Last Updated:		 August 2, 2005
August 11, 2005
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