Response to Comment “On the Existence of Excitonic Signatures in the Optical Response of Metal–Organic Frameworks”
Valentin A. Milichko (ITMO University)
Elena V. Khramenkova (TheoMAT group, TU Delft - ChemE/Inorganic Systems Engineering, ITMO University)
Vladimir P. Dzyuba (Russian Academy of Sciences)
Evgeny Pidko (TU Delft - ChemE/Inorganic Systems Engineering, TheoMAT group, ITMO University)
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Abstract
This is a response to a comment on the interpretation of the origin of the nonlinear changes of optical properties of van der Waals' metal–organic frameworks (MOFs). The concerns are addressed by clarifying potential pitfalls in density functional theory (DFT) simulations, careful analysis of prior literature, and additionally discussing the previous experimental results to emphasize the applicability of the excitonic concept in molecular crystals, such as MOFs.
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