Manu: saving corrections

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Emmanuel Fromager 2020-06-04 12:31:03 +02:00
parent 6858a20619
commit ec2e34e760

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@ -37,7 +37,24 @@ We look forward to hearing from you.
\item
{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.}
\\
\alert{bla bla bla}
\alert{This is a good point. For clarity, we complemented the
theory section as follows.\\
{\it
``As shown in Sec. IV A 4, the weight dependence of the correlation
energy can be extracted from a FUEG model. In order to make the
resulting weight-dependent correlation functional truly universal, i.e.
independent on the number of electrons in the FUEG, one could use the
curvature of the Fermi hole [88] as an additional variable in the
density-functional approximation. The development of such a generalized
cor- relation eLDA is left for future work. Even though a similar
strategy could be applied to the weight-dependent exchange part, we
explore in the present work a different path where the
(system-dependent) exchange functional parameterization relies on the
ensemble energy linearity constraint (see Sec. IV A 2). Finally, let us
stress that, in order to further improve the description of the ensemble
correlation energy, a post-treatment of the recently revealed
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.
''}}
\item
{In the captions of Figures 1 and 2 replace "functional's" with "functionals'"}