« previous next »
Pages: [1]

Author Topic: how to perform MO population analysis on rttddft calculations  (Read 5774 times)

paras18

  • Newbie
  • *
  • Posts: 1
  • Karma: +0/-0
how to perform MO population analysis on rttddft calculations
« on: March 27, 2023, 12:38:32 PM »
I have performed rttddft calculations on a molecular system and I want to see any population transfer between two states of the system, is there any way I can see the propagation of the population in the system ? couldn't figure out a way yet
Logged

turbomaster

  • Administrator
  • Full Member
  • *****
  • Posts: 64
  • Karma: +0/-0
Re: how to perform MO population analysis on rttddft calculations
« Reply #1 on: July 09, 2023, 12:06:42 PM »
Dear paras18,

there are no two states in the rttddft calculations, since you always propagate the ground state density.

Best Wishes

Marek
Logged
Pages: [1]
« previous next »