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Meta-GGA and hybrid xc energy functionals
By efficiently using ADF's fit functions, an initial beta release for a post-SCF implementation of hybrid
functionals, such as B3LYP, is available. The first test results show encouraging agreement
with literature data and the feasibility of using this option on molecules up to at least 50 atoms.
Further improvements and speed-ups are planned. New nonempirical meta-GGA functionals have
also been added and often outperform even the most popular hybrid functionals.
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