[Molpro-user] CASPT2 transition density

oedoen at web.de oedoen at web.de
Tue Aug 19 16:09:21 BST 2008


Dear MOLPRO users,

I would like to calculate an overlap and transition density with CASPT2 for the ground and excited state and store them to files. 
How can I do that?

Thank you very much for your help,

Robert


_________________________________________________________________________
In 5 Schritten zur eigenen Homepage. Jetzt Domain sichern und gestalten! 
Nur 3,99 EUR/Monat! http://www.maildomain.web.de/?mc=021114




More information about the Molpro-user mailing list