b235f9c920
This program package calcluates virtually exact solution of the Hartree-Fock and Hartree-Fock-Salter equations for diatomic molecules (distributed under GPL).
8 lines
335 B
Text
8 lines
335 B
Text
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
|