Dear all,

there is no easy way to compare ADF calculations with calculations made
with other programs. This is partly due to the fact, that the total energy
of the assembly at hand is nowhere calculated. But this is not all, also
there seems to be no article which describes the quality of the basis sets
in detail or which would explain, how they were constructed. The manual is
rather vague too, giving no direct comparison either.

Therefore my question, does anyone of you know any reference to an article
comparing the STO-basis sets in ADF with other basis-sets and do you know
any article which describes the construction of those ADF basis-sets.

Thanks in advance,

Michael Patzschke

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| Michael Patzschke | University of Helsinki |
| email: michaelp_at_chem.helsinki.fi | Department of Chemistry |
| phone: 358-9-191 50173 | P.O.B. 55 (A.I. Virtasen aukio 1) |
| FAX : 358-9-191 50169 | FIN-00014 Helsinki, Finland |
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Received on 2003-02-05 10:08:38