Coulomb nuclei-nuclei interaction

Computational Materials Physics › Forums › chapter forum : DFT (2) › Coulomb nuclei-nuclei interaction

Viewing 2 posts - 1 through 2 (of 2 total)
  • Author
    Posts
  • October 11, 2020 at 9:35 pm #16741
    Wilder
    Participant

    Hi everyone, I did not see when the coulomb nuclei-nuclei interaction was simplified. With the Born-Oppenheimer approximation it is only assumed to be constant.

    October 12, 2020 at 8:13 am #16748
    admin-compmatphys
    Keymaster

    Indeed, it’s a constant (after B-O). And it is straightforward to compute (just a classical sum). This value is added to the other contributions to the total energy.

  • Author
    Posts
Viewing 2 posts - 1 through 2 (of 2 total)
  • You must be logged in to reply to this topic.