Examples

Here are some examples which show what the program currently can do and how to actually make it do this. They are not particularly interesting, but might give a first impression of the program. The scripts shown here are included in the program distribution.

Simple Hartree-Fock and CEPA calculations	These are basically the "hello world"-type of scripts for CT8K.
Dissociation of H₂ molecule in RHF, CEPA(0) and CEPA(2)	This script draws a graph of the H₂ potential energy surface as predicted by the three methods using the PyX graphics library. Ihmo, it shows the power of a real scripting interface.
Electron Density	This script calculates either the electron density of a molecule or the absolute or relative difference density difference induced by correlation. This is done by evaluating the densities as operator expectation values on a given grid.
A Exchange-Correlation Hole (electronic pair distribution function)	This script calculates the electronic pair distribution function (for a specific reference point) in the molecule CO. Calculations of this kind directly visualize the electronic exchange-correlation hole.