Manu: saving corrections
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@ -37,7 +37,24 @@ We look forward to hearing from you.
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{They should comment about what is needed (or even if it is possible) to develop a weight-dependent universal xc functional for eDFT calculations instead of application-specific functionals as presented in this paper.}
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{They should comment about what is needed (or even if it is possible) to develop a weight-dependent universal xc functional for eDFT calculations instead of application-specific functionals as presented in this paper.}
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\\
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\\
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\alert{bla bla bla}
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\alert{This is a good point. For clarity, we complemented the
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theory section as follows.\\
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{\it
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``As shown in Sec. IV A 4, the weight dependence of the correlation
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energy can be extracted from a FUEG model. In order to make the
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resulting weight-dependent correlation functional truly universal, i.e.
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independent on the number of electrons in the FUEG, one could use the
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curvature of the Fermi hole [88] as an additional variable in the
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density-functional approximation. The development of such a generalized
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cor- relation eLDA is left for future work. Even though a similar
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strategy could be applied to the weight-dependent exchange part, we
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explore in the present work a different path where the
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(system-dependent) exchange functional parameterization relies on the
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ensemble energy linearity constraint (see Sec. IV A 2). Finally, let us
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stress that, in order to further improve the description of the ensemble
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correlation energy, a post-treatment of the recently revealed
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density-driven correlations [62,92-94] (which, by construction, are absent from FUEGs) might be necessary. An orbital-dependent correction derived in Ref. 92 might be used for that purpose. Work is currently in progress in this direction.
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''}}
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{In the captions of Figures 1 and 2 replace "functional's" with "functionals'"}
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{In the captions of Figures 1 and 2 replace "functional's" with "functionals'"}
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