Does ADF has LDA+U ?

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Does ADF has LDA+U ?

From: Alvin Chang <histhinking_at_email.domain.hidden>
Date: Tue, 8 Nov 2005 09:15:49 +0800

A lot of physicist use LDA plus U dealing with system including heavy
atoms such as Ln and Ac,
however, little literature in chemistry has been found to use this
technology to deal with the severe
electron corelation effect especially caused by f shell.
I'd like to know whether ADF has LDA+U: if so, how to use it; if not,
does exist any other measure to deal with the electron corelation
effect.

--
so let us be up and doing
with a heart for any fate
still pursuing and still achieving
learn to labor and to wait
Received on 2005-11-08 02:14:06

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