Subject: Effective Core Potential for gold

From: Pilar Carro <[email-masked]>
Date: Fri, 02 Mar 2001 13:16:18 +0000

Dear CCL'ers,
    I am interested to know if there exits the possibility in Gaussian98
to describe a gold atom with only a single outer s electron and the
remainder of the atomic electron density described by a efective core
potential. What type of ECP I must use in this case? and what is the way
I must introduce this ECP in the gaussian job file?.

I would appreciate any help from you
Thanks in advance,
P.Carro ([email-masked])