Molcas Forum
Support and discussions for Molcas and OpenMolcas users and developers
You are not logged in.
- Topics: Active | Unanswered
Announcement
Welcome to the Molcas forum.
Please note: The forum's URL has changed. The new URL is: https://molcasforum.univie.ac.at. Please update your bookmarks!
You can choose an avatar and change the default style by going to "Profile" → "Personality" or "Display".Pages: 1
#1 2016-04-29 10:23:15
- ayush123
- Member
- Registered: 2016-04-16
- Posts: 4
Transition dipole moment
Hello ,
I wanted to know how can I print the transition dipole moments for each excited state from a Caspt2 or casscf calculation?
Eagerly waiting for your reply.
Thank you
Offline
#2 2016-04-29 10:32:26
- Ignacio
- Administrator
- From: Uppsala
- Registered: 2015-11-03
- Posts: 1,085
Re: Transition dipole moment
With RASSI, see the keyword MEES.
Offline
Pages: 1
Last refresh: Today 13:59:47