Author Topic: Time-dependent DFT and photoluminescence  (Read 248 times)

0 Members and 1 Guest are viewing this topic.

Offline hadhemat

  • New ATK user
  • *
  • Posts: 2
  • Country: cz
  • Reputation: 0
    • View Profile
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

Offline mlee

  • QuantumATK Staff
  • ATK Guru
  • *****
  • Posts: 173
  • Country: dk
  • Reputation: 6
    • View Profile
Re: Time-dependent DFT and photoluminescence
« Reply #1 on: December 6, 2021, 09:46 »
Regarding to the TD-DFT, QuantumATK doesn't have it.

Offline hadhemat

  • New ATK user
  • *
  • Posts: 2
  • Country: cz
  • Reputation: 0
    • View Profile
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?