website stat Chemistry 221: Variations on a Theme

Tuesday, October 18, 2005

Variations on a Theme

Though the Schrodinger equation cannot be solved exactly, robust approximate techniques exist for finding solutions to problems of interest to chemist. The variational theorem is the foundation for much of computational chemistry. Using a Mathematica notebook we explore how a simple gaussian function can be used to find an approximation to the wavefunction and the energy.

Mathematica notebook

MP3 podcast


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