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Up Directory CCL September 12, 1996 [005]
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From:  <schrecke(-(at)-)zinc.chem.ucalgary.ca>
Date:  Thu, 12 Sep 1996 09:57:43 -0600 (MDT)
Subject:  ECP's and PP's


Hi everybody,

I have just read the interesting summary by Dale Braden in the CCL on ECP's.
One of the questions he raised in his original posting was whether there is
a difference between "effective core potentials" and "pseudopotentials". To
my limited knowledge, there is none. But maybe one of the experts could
comment on this question? -- I couldn't find a definite answer in the mentioned
summary. So my question is, what -- if any -- is the difference between PP's
and ECP's?  Just curious ...

Thanx, Georg
P.S. I will summarize to the list if there are any answers.
--
==============================================================================
Georg Schreckenbach                      Tel: (Canada)-403-220 8204
Department of Chemistry                  FAX: (Canada)-403-289 9488
University of Calgary                    Email:
schrecke-0at0-zinc.chem.ucalgary.ca
2500 University Drive N.W.,  Calgary,  Alberta,  Canada,  T2N 1N4
==============================================================================


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