[ADF-LIST] Basis set choice

Alexei Yakovlev yakovlev at scm.com
Fri May 27 11:20:36 CEST 2016

Hi Hussein,

The problem may be related to comparing MP2 with DFT BP86. Besides, the 
difference between the not-so-great DZ/DZP-quality basis sets may be 
large when comparing sets with the Gauss- and Slater-type functions.

Kind regards,


On 26-May-16 10:26, hussein afrouzi wrote:
> Dear ADF users and devellopers
> I have claculated my complexs by Gaussian and MP2/aug-cc-pvDZ method and basis set and my energy decomposion by ADF (BP86-D-DZ). The obtained stabilization energy of Gaussian are not silimilar to ADF (Eint). How can I solve the problem?
> Best Regards
> H. Afrouzi
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