Ï?B97X-D ?


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Dear developers and dear community,

is there a way to use the ?B97X-D functional ? I do not see at least an obvious scheme in the manual to construct it. Help would be greatly appreciated. If not implemented, are there plans to include the functional in the future ?

Kind regards
Alexander

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B97X-D is not in NWChem yet.
We plan to implement it

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Thanks for responding. I was not subscribed accidentally, so I was not aware of your answer.

I am grateful for all of the developers work to make new functionals. As I am curious about the implementation. Whats is the most challenging part in including the new functionals (and especially this one ? )


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