Firefly and PC GAMESS-related discussion club


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



Re: a tutorial on how to select orbitals for active space using Firefly

sanya
sanya@photonics.ru


I would like to add a paper of V. Veryazov, P.Å. Malmqvist, and B.O. Roos with some hints on selecting the active space:
http://onlinelibrary.wiley.com/doi/10.1002/qua.23068/abstract
[ Previous ] [ Next ] [ Index ]           Tue Oct 16 '12 4:58am
[ Reply ] [ Edit ] [ Delete ]           This message read 931 times