QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: tigeryzz on March 3, 2011, 03:07

Title: can ATK consider the Coulomb interaction
Post by: tigeryzz 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.

Title: Re: can ATK consider the Coulomb interaction
Post by: alan 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?