Journal of Physical Chemistry, Vol.99, No.42, 15608-15610, 1995
Solution of the One-Dimensional Schrodinger-Equation by the Combined Use of Symbolic and Numerical Computation
High-order integration formulas for the numerical integration of the one-dimensional Schrodinger equation have been generated by means of the symbolic computational language MAPLE. The formulas have been used to evaluate energies of the bound states for a series of model systems. The calculations have revealed that they possess high stability and accuracy. When performing calculations within the framework of MAPLE, practically arbitrary accuracy is attainable with a modest amount of computing time.