Subject: Relativistic correction for lanthanides

From: "Slawomir Janicki" <[email-masked]>
Date: Tue, 28 Oct 1997 03:17:18 -0600

Hi

We are trying to run some SCF geometry optimizations with lanthanide ions
using all-electron basis sets. When should we apply the relativistic
correction? At the end of the run or at each SCF cycle? What is the best way
to do it? We have access to GAMESS and GAUSSIAN.

Thanks for any help.

Slawek Janicki
[email-masked]