Firefly and PC GAMESS-related discussion club


 
Learn how to ask questions correctly  
 
 
We are NATO-free zone
 



Help needed with the Transition density matrix determination and analysis....

Siddheshwar Chopra
sidhusai@gmail.com


Dear Users,
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.

Kind Regards,


[ Previous ] [ Next ] [ Index ]           Wed Sep 17 '14 9:45am
[ Reply ] [ Edit ] [ Delete ]           This message read 386 times