Subject: X3LYP and Gaussian03

From: pdw.boyd|at|auckland.ac.nz
Date: Wed, 28 Apr 2004 09:59:47 +1200

Hello CCL

Has anyone figured out how to use the X3LYP extended density functional 
recently reported by Xu and Goddard (PNAS 101,2673,2004) within Gaussian 03.
In the user defined Model section of the G03 manual it is not clear how to 
incorporate both the B88 and PW91 exchange functionals as prescribed in this 
paper using the Iop non standard options.

Thanks

Peter Boyd
Chemistry Department
The University of Auckland
Auckland
New Zealand

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