各位老师好,我用高斯对某形似对称的分子(约100个原子) 做激发态优化,审稿人提出两个问题:1. the large number of the degenerate states forthis molecule is not surprising due to the symmetry of the system.
2. Aren't the number of states mistaken?
对于1,文中提到:For this molecule,there are a large number of degenerate states in the orbitals of differentexcited states. For example, the excitation energy, absorption wavelength, andoscillator strength of S1 and S2, S5 and S6states are almost the same values (Table S2 in the SI). 审稿人说not surprising,需要如何response和修改?
对于2,想请问:分子简并态的判断依据?以及如何回复审稿人的意见?