path: root/science/2dhf/pkg-descr

A Numerical Hartree-Fock Program for Diatomic Molecules

The program finds virtually exact solution of the Hartree-Fock
and Hartree-Fock-Slater equations for diatomic molecules. The
lowest eigenstates of a given irreducible representation and
spin can be obtained. Distributed under GPL.

WWW: http://staff.csc.fi/~laaksone/Num2d.html