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minor correction on the letter

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Pierre-Francois Loos 2019-12-09 10:01:16 +01:00
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Response_Letter/Response_Letter.tex
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@ -40,13 +40,17 @@ We look forward to hearing from you.
\item \item
{The main criticism as a reader is that all details of the construction of the total energy correction to the ``finite-size basis difference'' with respect to the CBS limit is absent from the paper (very short Section II-C). The authors refer the reader to previous publications (mainly [57]) dealing with total energies in a CCSD(T) quantum chemistry wavefunction framework with which the Green's function community may not be very familiar with. In particular the construction of a local range-separation parameter related to the diagonal of the ``effective'' 2-electron-operator-in-a-basis ($W^{B}$) would deserve to be somehow explained in the present paper.} {The main criticism as a reader is that all details of the construction of the total energy correction to the ``finite-size basis difference'' with respect to the CBS limit is absent from the paper (very short Section II-C). The authors refer the reader to previous publications (mainly [57]) dealing with total energies in a CCSD(T) quantum chemistry wavefunction framework with which the Green's function community may not be very familiar with. In particular the construction of a local range-separation parameter related to the diagonal of the ``effective'' 2-electron-operator-in-a-basis ($W^{B}$) would deserve to be somehow explained in the present paper.}
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\alert{We have largely expanded Section II.C. to include additional details about the present basis set correction. \alert{We have included a new subsection (Section II.C.) to include additional details about the present basis set correction.
In particular, the construction of the range-separation function $\mu(\mathbf{r})$ is detailed as well as the corresponding effective two-electron operator $W(\mathbf{r}_1,\mathbf{r}_2)$.} In particular, the construction of the range-separation function $\mu(\mathbf{r})$ is detailed as well as the corresponding effective two-electron operator $W(\mathbf{r}_1,\mathbf{r}_2)$.}
We have also expanded Section II.D. to add more details about the short-range correlation functionals.
Their corresponding potentials are reported in the Supporting Information.
\item \item
{Following the previous question, and from a pragmatic point of view, what is needed as an input to construct this basis-set-incompleteness correction, namely this effective local potential of Eq. [31] ? Again the answer is present in equations 4-9 of Ref. [57] but could be summarised in the present paper and possibly simplified in the present case of a perturbation theory based on a input mono-determinental Kohn-Sham or HF description of the many-body wavefunction. This may also give an hint on the cost (scaling) and complexity of the approach. } {Following the previous question, and from a pragmatic point of view, what is needed as an input to construct this basis-set-incompleteness correction, namely this effective local potential of Eq. [31] ? Again the answer is present in equations 4-9 of Ref. [57] but could be summarised in the present paper and possibly simplified in the present case of a perturbation theory based on a input mono-determinental Kohn-Sham or HF description of the many-body wavefunction. This may also give an hint on the cost (scaling) and complexity of the approach. }
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\alert{As mentioned above, we now provide all the equations in the single determinant case to construct $\mu(\mathbf{r})$, the main ingredient (alongside the density) of the present short-range correlation functionals.} \alert{As mentioned above, we now provide all the equations in the single determinant case to construct $\mu(\mathbf{r})$, the main ingredient (alongside the density) of the present short-range correlation functionals.
The formal scaling of the present approach is now quickly discussed in Section III.
}
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{As a corollary to this comment, the referee is still surprised that one may build a ``universal'' correction, in a sens that the same correction would apply to any approximation to the self-energy (if the referee understands correctly ...) whatever the diagrams used. If this is a correct statement, this should be emphasised and probably better commented.} {As a corollary to this comment, the referee is still surprised that one may build a ``universal'' correction, in a sens that the same correction would apply to any approximation to the self-energy (if the referee understands correctly ...) whatever the diagrams used. If this is a correct statement, this should be emphasised and probably better commented.}
@ -80,7 +84,8 @@ We look forward to hearing from you.
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{The authors discuss GW in depth in sections II.A and II.B. For me however the novelty in this paper is all about what is in section II.C. We are given references there but to me C should be extended to provide more information.} {The authors discuss GW in depth in sections II.A and II.B. For me however the novelty in this paper is all about what is in section II.C. We are given references there but to me C should be extended to provide more information.}
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\alert{As already mentioned in the answer to Reviewer \#1, we have significantly extended this section in order to provide additional details about the present basis set correction. In particular, we provide the working equations to compute all the key quantities in the case of a single-determinant such as KS-DFT and HF.} \alert{As already mentioned in the answer to Reviewer \#1, we have significantly extended this section in order to provide additional details about the present basis set correction. In particular, we provide the working equations to compute all the key quantities in the case of a single-determinant such as KS-DFT and HF.
See the new Section II.C. and expanded Section II.D.}
\item \item
{In Section III the authors mention that the infinitesimal eta is put to 0. {In Section III the authors mention that the infinitesimal eta is put to 0.