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Published 20 hours ago • verified publisher icon dftlibs

B3LYP is wrong

Open susilehtola opened this issue 2 years ago • 0 comments

The B3LYP functional functional is wrong in XCFun. The functional uses VWN(RPA) not VWN5. https://doi.org/10.1016/S0009-2614(97)00207-8

susilehtola avatar Oct 21 '22 21:10 susilehtola