« previous next »
Pages: [1]   Go Down

Author Topic: can ATK consider the Coulomb interaction  (Read 3473 times)

0 Members and 1 Guest are viewing this topic.

Offline tigeryzz

  • Heavy QuantumATK user
  • ***
  • Posts: 34
  • Reputation: 0
    • View Profile
can ATK consider the Coulomb interaction
« on: March 3, 2011, 03:07 »
Can ATK considered the Coulomb interaction or it has been considered?
The physics origin of magnetism is the Coulomb interaction, if it does not take the Coulomb interaction into account, how can we valid the calculated results?
My version is ATK 2008.10.
Thanks.
Logged

Offline alan

  • Regular QuantumATK user
  • **
  • Posts: 23
  • Reputation: 0
    • View Profile
Re: can ATK consider the Coulomb interaction
« Reply #1 on: March 3, 2011, 03:14 »
I have the similar questions:

In the ATK calculation, is it necessary to consider the coulomb interaction? And how induce the coulomb interaction in the DFT calculations?

What is the effect on magnetism when we consider the Coulomb interaction explicitly?

And could anybody provide me some references about the effects?
Logged
Pages: [1]   Go Up
« previous next »