Posted by Roland Lindh on December 19, 2009 at 12:14:32:
In Reply to: How to evaluate the one and two electrons integrals when the nucleus coordinates are changed but electron wavefunction are not changed? posted by lydia on December 18, 2009 at 21:57:24:
Dear Lydia,
I need to know the following to help you, please. 1) do you want the wave function consider that the overlap matrix change or not, and 2) what wave function model would you like to apply this too?
Take care,
-roland