QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: hadhemat on December 1, 2021, 10:19

Title: Time-dependent DFT and photoluminescence
Post by: hadhemat 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

Title: Re: Time-dependent DFT and photoluminescence
Post by: mlee on December 6, 2021, 09:46

Regarding to the TD-DFT, QuantumATK doesn't have it.

Title: Re: Time-dependent DFT and photoluminescence
Post by: hadhemat on December 10, 2021, 11:15

Thanks. Does anyone know how is it possible to calculate PL spectra in ATK then?