« previous next »
Pages: [1]   Go Down

Author Topic: Time-dependent DFT in Quantumatk  (Read 3191 times)

0 Members and 1 Guest are viewing this topic.

Offline narin

  • Heavy QuantumATK user
  • ***
  • Posts: 44
  • Country: at
  • Reputation: 0
    • View Profile
Time-dependent DFT in Quantumatk
« on: January 1, 2024, 11:23 »
Dear sirs,

Is it possible to simulate the water radiolysis in Quantumatk such as in this paper: https://pubs.acs.org/doi/abs/10.1021/acs.jpca.8b01259

Thanks
Narin
Logged

Offline Anders Blom

  • QuantumATK Staff
  • Supreme QuantumATK Wizard
  • *****
  • Posts: 5575
  • Country: dk
  • Reputation: 96
    • View Profile
    • QuantumATK at Synopsys
Re: Time-dependent DFT in Quantumatk
« Reply #1 on: January 5, 2024, 20:38 »
No, this is not implemented in QuantumATK.
Logged

Offline narin

  • Heavy QuantumATK user
  • ***
  • Posts: 44
  • Country: at
  • Reputation: 0
    • View Profile
Re: Time-dependent DFT in Quantumatk
« Reply #2 on: January 10, 2024, 06:12 »
Thanks for the reply.
Logged
Pages: [1]   Go Up
« previous next »