## General Description of the Tasks 1-4

The four numerical computer programs are derived from real
codes used in atomic collision theory. Here they are
used in simplified context.

- (a.) Program to calculate M.E. between 2 hydrogenic states
Analytic expression can be derived, but
this is a fully numerical code.

This code evaluates integrals.
gbind.f
**Task 1 **
- (b.) In the molecular theory, we can use a matrix
formulation of the problem. Then we need to diagonlize
the hamilton matrix.

This code diagonalizes matrices.

sjacob.f
**Task 2** and 3
- (c.) The time-dependent Schr. equation transforms
into a system of coupled differential equations.
These are solved numerically by Runge-Kutta method.
This code solves the TDSE by this method.

runge.f
**Task** 2 and ** 3 **
- (d.) The time-dependent Schr. equation, as under point (c.).
Here the program is modified to reflect the impact
parameter dependence, as in real calculations.
**Task 4**

All the four codes are adjusted to read and write the data in a form
suitable for simple use in other programs. It is also possible to modify
the codes, since they are relatively well documented.

Purpose of the tasks
...... Time Schedule, all activities......
**Task 5**
Index