Exchange-Correlation in DFT

  • #1
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.
 

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  • #2
ZapperZ
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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.
 
  • #3
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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
 

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