Resumen de Solution of the Schrödinger Equation for One-Dimensional Anharmonic Potentials: An Undergraduate Computational Experiment
A method of solving the Schrödinger 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.
