... | ... | @@ -830,13 +830,16 @@ Functional names not from LibXC are listed at the end. |
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* '''HYB\_MGGA\_XC\_XB1K''': Mixture of X with BC95 for kinetics
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* [http://dx.doi.org/10.1021/jp048147q Y. Zhao and D. G. Truhlar, J. Phys. Chem. A 108, 6908 (2004)](doi: 10.1021/jp048147q)
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Functionals not in LibXC.
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# Functionals not in LibXC.
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# van der Waals correlation functionals.
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# The full functionals, if their standard corresponding exhange functionals are used, would be:
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# vdW-DF: gga_x_pbe_r + vdw_c_df1
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# vdW-DF2: gga_x_rpw86 + vdw_c_df2
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# vdW-DF-CX: gga_x_lv_rpw86 + vdw_c_df_cx
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## van der Waals correlation functionals
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The full functionals, if their standard corresponding exhange functionals are used, are denoted as follows:
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- vdW-DF: gga_x_pbe_r + vdw_c_df1
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- vdW-DF2: gga_x_rpw86 + vdw_c_df2
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- vdW-DF-CX: gga_x_lv_rpw86 + vdw_c_df_cx
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References:
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* '''vdw_c_df1''': vdW-DF or van der Waals density-functional
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