Subject: binding energy with DFT

From: Goedele Roos <groos ^^^ vub.ac.be>
Date: Wed, 9 Feb 2005 07:51:44 +0100 (MET)

Dear all,
Can anyone tell me what the mean errors are of the  binding energy calculated with 
hybrid functional (B3LYP).
Is a binding energy difference of 1 kcal/mol a significant result using DFT calculations wirth B3LYP?
Thank you in advance for help...
Cheers Goedele

Drs. Goedele Roos
Dienst Algemene Chemie (ALGC)
Vrije Universiteit Brussel (VUB)
Pleinlaan 2
B-1050 Brussels
Tel: 0032-2-629 35 16
Fax: 0032-2-629 33 17