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.)
Descriptors: Laboratories, Algebra, Chemistry, Computer Assisted Instruction, Computation, Undergraduate Students, Equations (Mathematics), Comparative Analysis, Problem Solving, College Mathematics, Experiments, Models
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
Identifiers: N/A

Peer reviewed
Direct link
