Posted by Valdemir Ludwig on December 29, 2005 at 13:52:12:
Alo Molcas Team,
Is there any proceding to obtain chelpg fitted charges for the ground andexcited states using molcas-casscf wave-function? Tanks for the atention.
Valdemir
Follow Ups:
Post a Followup
Subject:
if B is 1s22s22p1, what is Li?
Passfield:
Comments: : Alo Molcas Team, : Is there any proceding to obtain chelpg fitted charges for the ground and : excited states using molcas-casscf wave-function? : Tanks for the atention. : Valdemir