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HI, I hope that anyone who read this is very well, I was wondering if someone have any advice about if its possible to do the IRI analysis in excited states, I use normally TD-DFT in ORCA 6.0.0 , but I don't know if its possible to use the outputs to do IRI. Thanks a lot
Thanks a lot for your answer professor, you are very kind, also I want to ask you if maybe are you thinking in doing the implementation of the Interacting Quantum Atoms (IQA) method ?? Best wishes
Hi ! I hope this message finds you well,
I want to use sobEDA to analyse the intermolecular interaction between an excited molecule and its environment (taken as a supermolecule, maybe 5 molecules of solvent), can I use sobEDA to do this? Best wishes
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