Te. Simos, 8TH ORDER METHODS WITH MINIMAL PHASE-LAG FOR ACCURATE COMPUTATIONS FOR THE ELASTIC-SCATTERING PHASE-SHIFT PROBLEM, Journal of mathematical chemistry, 21(4), 1997, pp. 359-372
Two new hybrid eighth algebraic order two-step methods with phase-lag
of order twelve and fourteen are developed for computing elastic scatt
ering phase shifts of the radial Schrodinger equation. Based on these
new methods we obtain a new variable-step procedure for the numerical
integration of the Schrodinger equation. Numerical results obtained fo
r the integration of the phase shift problem for the well known case o
f the Lennard-Jones potential show that these new methods are better t
han other finite difference methods.