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Author Topic: Time-dependent DFT and photoluminescence  (Read 4600 times)

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Offline hadhemat

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Time-dependent DFT and photoluminescence
« on: December 1, 2021, 10:19 »

Hello,

I am trying to calculate photoluminescence spectra for my structures by ATK. I guess I have to do time-dependent DFT. Is TD-DFT implemented in ATK? If yes, how can I use it? If no, is there another way to calculate photoluminescence spectra by ATK? Thanks

Hadi
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Offline mlee

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Re: Time-dependent DFT and photoluminescence
« Reply #1 on: December 6, 2021, 09:46 »
Regarding to the TD-DFT, QuantumATK doesn't have it.
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Offline hadhemat

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Re: Time-dependent DFT and photoluminescence
« Reply #2 on: December 10, 2021, 11:15 »
Thanks. Does anyone know how is it possible to calculate PL spectra in ATK then?
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