Is there any way to calculate the excited state frequencies of a period system using DFT?
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1$\begingroup$ Considering that many excited states are quasiparticles/multi-body in nature, it seems like a non-trivial calculation for many reason. What kind of excited states are you exactly looking for? $\endgroup$– GregJan 22 at 15:04
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$\begingroup$ I am looking for the lowest optically allowed(singlet) transition. $\endgroup$– sthomasJan 23 at 19:25
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$\begingroup$ @Greg might not have seen your response, because you didn't use the @ character to ping him. In the future please remember to ping people by using the @ character. Also, since it has now been more than 10 months since you asked this question, have you found an answer yet, or made any progress on this project? $\endgroup$– Nike DattaniNov 4 at 18:43
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$\begingroup$ @NikeDattani I didn't get any answer. CP2K can do excited state optimization. I think that interfacing cp2k with phonopy might solve this. $\endgroup$– sthomasNov 5 at 19:06
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$\begingroup$ Why do you need to interface it with phonopy? $\endgroup$– Nike Dattaniyesterday
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