Problem about Kohn Hohenberg theorem

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In summary, the proof given on the website shows that the Hamiltonian and external potential determine the ground state wave function in most cases. This is because there is no ambiguity in the ground state wave function for a given Hamiltonian, except for an arbitrary phase. Although there are other ways to define the wave function, such as using momentum eigenstates, the wave function can be derived for specific problems using the Hamiltonian.
  • #1
georg gill
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This proof is taken from this site:

http://cmt.dur.ac.uk/sjc/thesis_ppr/node12.html

I get that ##v_{ext}(r)## and ##N## determines ##H## from proof 1. But why is ##\Psi## determined by ##H##? Can someone derive a path to prove it mathematically?
 
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  • #2
Unless the ground state is degenerate, which is very rare, there's no ambiguity as to the ground state wave function obtained for a given Hamiltonian (except for an arbitrary choice of the constant complex phase). You can't have a spectrum that's not bounded from below (in that pathological case there wouldn't be a ground state).
 
  • #3
As far as I am concerned the wave function is definded in the derivation of the schrødinger equation as ##\Psi=\Psi_oe^{kx-\omega t}##. Of course there are others but thoose are derived explicitly for a given problem. For example the wave functions for the hydrogen molecule. I don't get why they can derive the wave functions by using ##H##
 
  • #4
georg gill said:
As far as I am concerned the wave function is definded in the derivation of the schrødinger equation as ##\Psi=\Psi_oe^{kx-\omega t}##. Of course there are others but thoose are derived explicitly for a given problem. For example the wave functions for the hydrogen molecule. I don't get why they can derive the wave functions by using ##H##

What you're describing are momentum eigenstates, not bound states that DFT is used for finding.
 

FAQ: Problem about Kohn Hohenberg theorem

What is the Kohn Hohenberg theorem?

The Kohn Hohenberg theorem is a fundamental result in quantum mechanics that provides a way to calculate the ground-state energy and density of a many-body system based on the external potential. It states that the ground-state energy and density of a system are uniquely determined by the external potential, and vice versa.

What is the significance of the Kohn Hohenberg theorem?

The Kohn Hohenberg theorem is significant because it allows for the practical calculation of the ground-state properties of a many-body system, which would otherwise be extremely difficult to obtain. It also provides a rigorous mathematical framework for understanding the relationship between the external potential and the properties of the system.

What is the difference between the original and extended Kohn Hohenberg theorems?

The original Kohn Hohenberg theorem only applies to systems with a unique ground state, while the extended version applies to systems with degenerate ground states. The extended theorem also allows for the inclusion of constraints, such as spin polarization, in the calculation of the ground-state density.

What are some applications of the Kohn Hohenberg theorem?

The Kohn Hohenberg theorem has numerous applications in theoretical chemistry and condensed matter physics, such as in the calculation of electronic structure and the prediction of material properties. It is also used in the development of density functional theory, a widely used computational method in quantum chemistry.

Are there any limitations to the Kohn Hohenberg theorem?

While the Kohn Hohenberg theorem is a powerful tool for understanding many-body systems, it does have some limitations. It only applies to systems at absolute zero temperature, and it assumes that the external potential is fixed and does not change in response to the particle density. It also does not take into account quantum fluctuations, which can be important in some systems.

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