最近,有一篇文章编辑部通知要修改,但是针对审稿人的意见,我真的不知道怎么回答,请大家帮忙。
“The Computational methodology section does not mention how the authors handle the differential correlation effects due to the closed shell reactant molecule and the open shell product molecules. I am assuming that the product energies are calculated using an unrestricted wave function, but this is never mentioned. If this is the case, then the authors never analyze any errors introduced by using a restricted wave function for reactants and an unrestricted for the products”,
在这里,主要请大家帮忙的是我应该怎么分析“any errors introduced by using a restricted wave function for reactants and an unrestricted for the products”