| 4:24:21 AM PDT - Sun, May 20th 2012 |
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According to the Gaussian manual:
http://www.gaussian.com/g_tech/g_ur/k_dft.htm
VWN provides the (1-C) amount of local correlation for B3P86 since P86 itself when scaled by C also includes C amount of local correlation.
I don't have the ability to run on Gau$$ian to verify this. Are you confirming that:
XC vwn_1_rpa perdew86 nonlocal 0.81 HFexch 0.20 slater 0.80 becke88 nonlocal 0.72
matches the B3P86 implementation in Gau$$ian?
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