Computational chemistry Benchmark of functionals

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ChemGeek

(@chemgeek)

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Joined: 2 years ago

Posts: 36

Topic starter 04/11/2021 7:36 pm

Hi there!

Can someone recommend the best benchmarking of different DFT functionals? It would be very nice to find a review on the groups functionals (like GGA, hybrid, double-hybrid etc.) with their pros and limitations.

Thanks in advance!

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