Hello,
 
I would like to know the signification of the core column in the ATOM/ATOM
Overlap Matrix calculated with the ADF-BAND code.
 
Is it the overlap of the valence states of an atoms with the core states of
all the atoms ? What is the relation between this matrix and the Frozen Core
Approximation ?
 
Thank you for answering me.
 
Stanislas REMY
LSDSMS France
University of Montpellier tween this matrix and the Frozen Core
Approximation ?
 
Thank you for answering me.
 
Stanislas REMY
LSDSMS France
University of Montpellier
Received on 2000-05-17 17:50:36