如何回复审稿人的问题

gonglijing12345

审稿人问题

1) p. 12, second paragraph: the ‘corresponding electron density difference maps’ should be defined, get a citation and the manner how it was computed should be mentioned. In addition, it is not clear to me how EDDs (in the sense of EDD between molecular electronic density and the superimposed densities of non-interacting atoms) could be used to explain NLO properties: they are a way to describe the static elecronic density distribution in the (supposedly) electronic ground state, and do not in any way describe the ED response to electric fields. For this, at least two electronic states would be required (assuming a predominantly two-states description of the first hyperpolarizability). Another possibility would be to create (hyper)polarizability density maps.
2) p. 11 Choice of functional for the first hyperpolarizabilty: The authors have shown in the previous section that at least one ingredient relevant to beta is severely underestimated by CAM-B3LYP, the S1-S0 band gap, so the choice of CAM-B3LYP for beta is a bit strange. In my opinion, the values shown in Table 3 do not show a large difference between the functionals, more that order of magnitude accuracy cannot be expected from TDDFT , especially for such large systems as considered here. This also means that reporting the values of beta_HRS to a precision of wo digits after the comma does not make sense

关于审稿人的两个问题，麻烦大家帮我看看是什么意思，我需要算啥，怎么回复好呢，谢谢谢谢！

说明一下审稿人的第二个问题，吸收我用B3lyp算的（因为用Cam-b3lyp低估吸收值），静态第一超极化率又用Cam-b3lyp算的。

让你变成回忆

肯定得用CH3来取代烷基链的，毕竟还有位阻呢。用H的话就完全没有位阻了。

gonglijing12345

谢谢，那我重算一下！

gonglijing12345

追问，审稿人2的问题，我该算点什么来回复呢？谢谢谢谢！