B3P86 Functional

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Forum Vet

10:45:22 AM PDT - Tue, May 1st 2012
This is what you need to use to reproduce the B3P86 energies reported in two papers reported below XC vwn_1_rpa perdew86 nonlocal 0.81 HFexch 0.20 slater 0.80 becke88 nonlocal 0.72 http://dx.doi.org/10.1016/0009-2614(96)00480-0 http://www.springerlink.com/content/7519420454541l6w