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 waitReceived on 2005-11-08 02:14:06
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