many thanks :-)

and I have another question
do you ever try to use stoll correction(which is said to be a popular
self-interaction correction to correlation potential ) to LDA ?
In this paper--Phys.Rev.A, 1998,57,1721,the authors said that
"electron correlation effects turn out to be very important for
lanthanide";so What's the solution to this issue that ADF package
provides ?

2005/11/24, MANUEL PEREZ JIGATO <mpj_at_fyslab.hut.fi>:
>
> hi,
>
> since it seems that some may be interested in the methodology of
> strongly correlated materials, i have decided to include some information
> about the developments i am aware of (limited of course), but as far as i
> can tell this is all strictly limited within the solid state theory (i do not
> know of finite molecular developments/applications, i am not sure it is
> possible):
Received on 2005-11-26 04:36:07