Firefly and PC GAMESS-related discussion club


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


MCSCF calculation with and without state averaging / merits and drawbacks

Patrick SK Pang
pangsiukwong@gmail.com

Dear all,

What are the merits and drawbacks of using state averaging in MCSCF calculation? Similarly, What are the merits and drawbacks of MCSCF calculaton without state averaging?

Thanks!

Patrick

[ Previous ] [ Next ] [ Index ]           Mon Oct 8 '12 6:33pm
[ Reply ] [ Edit ] [ Delete ]           This message read 1056 times