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``schint'': outward Schrödinger integrator

 

void schint(double *Psi, double *Psip, int k1, int k2, double Veff[], double E,
       double r[], double dr[], int N);

The first step in making a Schrödinger solver is to integrate the Schrödinger equation with a given energy E. Following your Poisson solver as a guide, design a routine ``schint'' with the above prototype which (1) takes Psi and Psip as the values of tex2html_wrap_inline126 and tex2html_wrap_inline128 , respectively, at the point r[k1], (2) integrates the Schrödinger equation to the point r[k2] using Runge-Kutta, and (3) returns in Psi and Psip the final values of tex2html_wrap_inline126 and tex2html_wrap_inline128 .

As you design this routine, you will encounter several issues for which you will find help and suggestions below.





Tomas Arias
Wed Feb 16 12:12:49 EST 2000