Firefly and PC GAMESS-related discussion club
Learn how to ask questions correctly
Help needed with the Transition density matrix determination and analysis....
I wish to know about the determination of Transition density matrix. How do we extract it from the o/p data? Do we need to mention any special command to get the same? If no, then how to search for it in the o/p file? What all we can infer using it? Someone please throw some light on it.
Wed Sep 17 '14 9:45am
This message read 621 times