Manu: saving corrections
This commit is contained in:
parent
6858a20619
commit
ec2e34e760
@ -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'"}
|
||||
|
Loading…
Reference in New Issue
Block a user