Formation of a wavefunction, charge density

Click For Summary
SUMMARY

The discussion centers on Density Functional Theory (DFT) and the uniqueness of wave functions and charge densities as established by the Hohenberg–Kohn theorem. Participants clarify that DFT pertains to the ground state of electrons, asserting that for a given electron density, there exists a unique potential. The conversation also touches on the relationship between DFT and information theory, indicating that questions about opposing forces to electron arrangement may not be relevant to DFT itself.

PREREQUISITES
  • Understanding of Density Functional Theory (DFT)
  • Familiarity with the Hohenberg–Kohn theorem
  • Basic knowledge of wave functions and charge densities
  • Concepts of information theory in the context of quantum mechanics
NEXT STEPS
  • Study the implications of the Hohenberg–Kohn theorem in quantum mechanics
  • Explore advanced topics in Density Functional Theory (DFT) applications
  • Investigate the relationship between entropy and quantum states
  • Learn about information theory principles relevant to quantum mechanics
USEFUL FOR

Researchers, physicists, and students in quantum mechanics and materials science, particularly those focusing on electron behavior and theoretical frameworks in DFT.

jajabinker
Messages
8
Reaction score
1
I was studying Density functional theory, the premise of whose reasoning needs one to accept the phenomenon that when we place electrons into a potential, they "arrange" themselves into an unique wave function/charge density.

Are there any forces that oppose this arrangement? (other than the Columbic ones).

Anything we can say about entropy in this context?

Regards
 
Physics news on Phys.org
jajabinker said:
I was studying Density functional theory, the premise of whose reasoning needs one to accept the phenomenon that when we place electrons into a potential, they "arrange" themselves into an unique wave function/charge density.

Are there any forces that oppose this arrangement? (other than the Columbic ones).

Anything we can say about entropy in this context?
I'm not sure what you mean here. DFT concerns the ground state of the electrons, which is a very well defined state.
 
You're referring to the Hohenberg–Kohn theorem. It's just a uniqueness theorem - given some density n(\vec{r}) there is a unique potential corresponding to such a density.

Or, flipped around, given a specific potential, there is only one unique solution, in terms of the density, to the problem.

The rest of you question really doesn't make sense.
 
The question indeed does not make sense. It has nothing to do specifically with DFT, but more with information theory.

I am aware of the HK theorems.
 

Similar threads

  • · Replies 11 ·
Replies
11
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 4 ·
Replies
4
Views
3K
  • · Replies 13 ·
Replies
13
Views
3K
  • · Replies 2 ·
Replies
2
Views
2K
  • · Replies 3 ·
Replies
3
Views
576
  • · Replies 36 ·
2
Replies
36
Views
6K
  • · Replies 13 ·
Replies
13
Views
3K
  • · Replies 6 ·
Replies
6
Views
2K
  • · Replies 3 ·
Replies
3
Views
4K