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.
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Georg Schreckenbach Tel: (Canada)-403-220 8204
Department of Chemistry FAX: (Canada)-403-289 9488
University of Calgary Email: schrecke : at :
zinc.chem.ucalgary.ca
2500 University Drive N.W., Calgary, Alberta, Canada, T2N 1N4
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