审稿人意见如下: I doubt, that the HOMO-LUMO gaps can be tell much about the stability, especially the open shell cases can have significant multi-reference character, which can be not determined with the DFT calculation. From figure 3 I get the impression that they used unrestricted DFT, can they please provide the spin expectation value to judge the quality of these calculations. What do the authors mean with effective core potential for the HOMO-LUMO gap.
您再帮我看看,审稿人这句是什么意思?谢谢
1. What will I really learn new from the ELF data compared to the bond analysis done before, beside that there is the strongest bond between the Si atoms.