loos/eDFT_FUEG
1
0
Fork 0
Code Issues Pull Requests Releases Wiki Activity

Manu: started my revision. Saving work

Browse Source
This commit is contained in:
Emmanuel Fromager 2020-05-05 13:40:55 +02:00
parent dc671d9ce1
commit bf39ce4273
1 changed files with 10 additions and 3 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

13
Response_Letter/Response_Letter.tex
View File

@ -7,7 +7,7 @@
\begin{document}
\begin{letter}%
{To the Editors of the Journal of Physical Chemistry Letters}
{To the Editors of the Journal of Chemical Physics}
\opening{Dear Editors,}
@ -47,7 +47,14 @@ We look forward to hearing from you.
{Page 4: barred correlation per particle is introduced implicitly in Eqn 41.
Some pieces of the later discussion of this quantity might be helpful here, since this quantity appears in discussion of eqns 48 and 49, }
\\
\alert{This part is for you Manu.}
\alert{For clarity, we now mention that the expression in Eq. (41)
has a general structure, which should be exact for any uniform system. We
point out that, unlike in the exact theory, the correlation components
of eLDA are weight-independent. We
also mention explicitly that these components will be constructed (in
the following) from
the correlation excitation energies of a finite uniform electron gas. We
refer to Sec. III for further details.}
\item
{Page 4: It would be helpful to note clearly near eqn 40 that the authors' focus on LDA correlation differs from what many readers will be used to in ground-state LDA, namely using LDA exchange as well, instead of combining it with HF Hartree-exchange as is done here.
@ -55,7 +62,7 @@ We look forward to hearing from you.
}
\\
\alert{The reviewer is right.
We have added a note to clarify this point just below Eq.~(40).}
We have added a note to clarify this point just after Eq.~(41).}
\item
{Page 5: The authors' expansion of the correlation energy around the $I$th state and its resulting neglect of correlation effects between states more remote from one another might affect evaluation and analysis of the approximation and/or the embedding scheme.