Subject: X3LYP

From: "Jamie Platts" <Platts.-at-.Cardiff.ac.uk>
Date: Fri, 26 Nov 2004 09:50:18 +0000

Dear CCL'ers,

I've been reading with interest Xu and Goddard's recent paper on X3LYP, for
which the results look very impressive. Unfortunately, I don't have access to
Jaguar, so was thinking about how to implement this in Gaussian, but can't see
how to include contributions from two different non-local exchange functionals.

Has anybody tried this, or had success with another package?

Best regards,

Jamie

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  Jamie Platts
  School of Chemistry           Phone: +44 (0) 2920 874950
  Cardiff University            Email: platts.-at-.cf.ac.uk
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