Jim Kress
jimkress_35@kressworks.com
This is a great webinar by Martin Head-Gordon that discusses your question:
https://www.youtube.com/watch?v=E2-Nn2SQhk0&feature=youtu.be
Jim
On Tue Oct 4 '16 0:32am, TG3D wrote
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>The subject functional appears to provide excellent energy and distance behavior for all three major non-covalent interactions (electrostatic, H-bonding and dispersive (vdW)). Are there any plans to incorporate this functional into a future version of Firefly? If not, I have a really difficult question: which of the built-in functional and options would be a runner-up to PW86PBE-XDM?
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