Subject: Re: CCL:BSSE

From: "Subhas J. Chakravorty" <[email-masked]>
Date: Fri, 18 Oct 1996 08:56:12 -0400 (EDT)

On Thu, 17 Oct 1996, David Heisterberg wrote:

> Masao Masamura writes:
> >        I would like to ask about BSSE.
> 
> There is an interesting paper by van Duijneveldt et.al. in
> Chemical Reviews 94, 1873 (1994).  They argue rather strongly
> that counterpoise correction is the way to go.  They are also
> "forced to conclude that this new definition of BSSE [Davidson
> and Chakravorty] is superfluous, and one may only hope that its
> introduction will not further increase the confusion surrounding
> the CP recipe."  It's a spirited review!
> 
> Dave Heisterberg

There are a couple of comments and replies on our paper
in CPL which may be of interest.

Feller, DelBene and Dunning groups have been studying the
dimers, their studies and results are relevant.

Subhas J. Chakravorty,

[email-masked]

(215)-619-5481
Rohm and Haas Company
Spring House, PA-19447

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