Posted by Steven Vancoillie on September 18, 2015 at 08:25:36:
In Reply to: Re: CASPT2 convergence problem posted by MartÃn Amoza on September 16, 2015 at 11:06:35:
I will contact you by email so we can have a closer look.
Follow Ups:
Post a Followup
Subject:
if B is 1s22s22p1, what is Li?
Passfield:
Comments: : I will contact you by email so we can have a closer look.