Subject: CCL: Basis sets for transitional metals

From: "li" <liuxin_dut|at|hotmail.com>
Date: Fri, 19 Mar 2004 11:44:05 +0800

Hi!
 
 I am using g98w now, and i find out that the basis sets shipped with g98w can not converge well with systems containing transitional metal atoms or transitional metal clusters. Can somebody give me some information on which basis sets are suitable for calculation of clusters containing Ni, Cu, Ag, Ti, Co atoms and can converge well in g98w?
 
 Thank you all for your future help
 
 Sincerely yours
 
 Xin,Liu