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ERIC Number: EJ938997
Record Type: Journal
Publication Date: 2011-Jul
Pages: 3
Abstractor: As Provided
Reference Count: 21
ISBN: N/A
ISSN: ISSN-0021-9584
Solution of the Schrodinger Equation for One-Dimensional Anharmonic Potentials: An Undergraduate Computational Experiment
Beddard, Godfrey S.
Journal of Chemical Education, v88 n7 p929-931 Jul 2011
A method of solving the Schrodinger equation using a basis set expansion is described and used to calculate energy levels and wavefunctions of the hindered rotation of ethane and the ring puckering of cyclopentene. The calculations were performed using a computer algebra package and the calculations are straightforward enough for undergraduates to investigate for themselves in the laboratory. The supporting information gives details of the calculations in the form of a laboratory script. (Contains 1 figure.)
Division of Chemical Education, Inc and ACS Publications Division of the American Chemical Society. 1155 Sixteenth Street NW, Washington, DC 20036. Tel: 800-227-5558; Tel: 202-872-4600; e-mail: eic@jce.acs.org; Web site: http://pubs.acs.org/jchemeduc
Publication Type: Journal Articles; Reports - Descriptive
Education Level: Higher Education
Audience: N/A
Language: English
Sponsor: N/A
Authoring Institution: N/A