Lanthanides

From: srhughes -AatT- vax2.concordia.ca
Subject: Lanthanides
Date: Mon, 17 Jul 2000 11:52:46 -0400 (EDT)

Hello,
 I am currently performing single-point calculations of the euorpium ion in
 both Gamess and Gaussian98.  An HF/SDD calculation yields energies of
 -629.54 and -706.97 Hawtrees respectively.  I am quite confident that no
 errors are present in the input files as it relates to the basis sets.
 Has anyone else experienced similar problems or can provide me
 with any insight to resolve this discrepancy?  Thank you for your time.
 Sean Hughes, COTC
 Dept. Chemistry and Biochemistry
 Concordia University
 1455 de Maisonneuve Blvd. West
 Montreal, Quebec
 Canada
 H3G 1M8
 Tel: (514)-848-4260
 Fax: (514)-848-2868