CCL: reference of the original paper on counterpoise
- From: Petra Imhof <petra.imhof]_[iwr.uni-heidelberg.de>
- Subject: CCL: reference of the original paper on counterpoise
- Date: Tue, 17 Jan 2006 11:42:54 +0100
Sent to CCL by: Petra Imhof [petra.imhof#%#iwr.uni-heidelberg.de]
Dear list,
Molecular Physics has a couple of famous papers in a more recent volume..
The Boys and Bernardi paper is among them. It can be found in
Mol. Phys. 100 (2002) 65-73
Abstract:
A new direct difference method for the computation of molecular interactions
has been based on a bivariational transcorrelated treatment, together with
special methods for the balancing of other errors. It appears that these new
features can give a strong reduction in the error of the interaction energy,
and they seem to be particularly suitable for computations in the important
region near the minimum energy. It has been generally accepted that this
problem is dominated by unresolved difficulties and the relation of the new
methods to these apparent difficulties is analysed here.
Regards,
Petra