Understanding the Exchange-Correlation Term in Density Functional Theory

  • Thread starter Thread starter gjfelix2001
  • Start date Start date
  • Tags Tags
    Dft
Click For Summary
The exchange-correlation term in Density Functional Theory (DFT) arises from the Pauli exclusion principle and the quantum aspects of electron-electron interactions. It is crucial for accurately describing the behavior of electrons in a system. For a deeper understanding, references to detailed papers and intuitive explanations from previous discussions are suggested. These resources can clarify the origins and implications of the exchange-correlation term without delving into complex equations. Gaining insight into this term is essential for a comprehensive grasp of DFT.
gjfelix2001
Messages
17
Reaction score
0
Hi, i can't understan clearly the Exchange-correlation term that appears in the develop of DFT. The only thing i know is that the first comes from the pauli exclusion principle, and the second from the quantum part of the coulomb interaction between electrons. Am i right?? but i wan't to go deeper (not equations necessary) only a little help to understand where exactly this term comes and things like that. Thanks in advance for your help.
 
Physics news on Phys.org
gjfelix2001 said:
Hi, i can't understan clearly the Exchange-correlation term that appears in the develop of DFT. The only thing i know is that the first comes from the pauli exclusion principle, and the second from the quantum part of the coulomb interaction between electrons. Am i right?? but i wan't to go deeper (not equations necessary) only a little help to understand where exactly this term comes and things like that. Thanks in advance for your help.

I'm not an expert on DFT. However, I can give you a reference to the paper that I read a while back while trying to understand a certain aspect of DFT. It has a rather detailed discussion on the exchange correlation in DFT and they use it in specific examples. Maybe that might give you an idea on what it is.

http://xxx.lanl.gov/abs/physics/9806013

Zz.
 
gjfelix2001 said:
Hi, i can't understan clearly the Exchange-correlation term that appears in the develop of DFT. The only thing i know is that the first comes from the pauli exclusion principle, and the second from the quantum part of the coulomb interaction between electrons. Am i right?? but i wan't to go deeper (not equations necessary) only a little help to understand where exactly this term comes and things like that. Thanks in advance for your help.

If you want an intuitive understanding i can refer you to i post i wrote some time ago :
https://www.physicsforums.com/showpost.php?p=1390599&postcount=16

Once you understand this, it should be more clear why the formula's appear in "they way they do" :)

marlon
 

Similar threads

  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 6 ·
Replies
6
Views
4K
Replies
2
Views
4K
  • · Replies 8 ·
Replies
8
Views
3K
  • · Replies 0 ·
Replies
0
Views
3K
Replies
3
Views
2K
  • · Replies 1 ·
Replies
1
Views
1K
  • · Replies 1 ·
Replies
1
Views
1K
  • · Replies 0 ·
Replies
0
Views
2K
  • · Replies 2 ·
Replies
2
Views
3K