Given a Hamiltonian, finding the energy levels

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Discussion Overview

The discussion revolves around the process of finding energy levels from a given Hamiltonian in quantum mechanics. Participants explore strategies for solving the eigenvalue problem associated with Hamiltonians, particularly in the context of systems involving angular momentum operators.

Discussion Character

  • Exploratory
  • Technical explanation
  • Debate/contested
  • Mathematical reasoning

Main Points Raised

  • One participant notes that the eigenvalue of the Hamiltonian applied to an eigenket corresponds to an energy level and questions the strategy for finding energy levels given a specific Hamiltonian.
  • Another participant suggests using calculus to solve the eigenvalue equation, similar to the infinite well potential, and mentions that matrix mechanics may be easier for finite-dimensional Hilbert spaces.
  • A participant cautions against assuming that angular momentum quantum numbers are good quantum numbers without checking the commutation relations of the Hamiltonian, particularly in cases where terms like ##\mathbf L \cdot \mathbf S## are involved.
  • One participant asks if transforming the Hamiltonian to commute with ##L_z## would allow for the use of arbitrary |n, l, m> states.
  • Another participant emphasizes the need to identify all operators that commute with the Hamiltonian to determine which quantum numbers can uniquely specify eigenstates, noting that the number of quantum numbers should match the degrees of freedom in the system.
  • It is mentioned that just because a Hamiltonian commutes with ##L_z## does not imply it commutes with ##L^2##, using the example of a term like ##kz## that commutes with ##L_z## but not with ##L^2##.

Areas of Agreement / Disagreement

Participants express differing views on the conditions under which angular momentum quantum numbers can be used, indicating that the discussion remains unresolved regarding the specific strategies for applying Hamiltonians in various contexts.

Contextual Notes

Participants highlight the importance of checking commutation relations and the implications for quantum numbers, indicating that assumptions about the Hamiltonian's structure may affect the analysis.

Buggy Virus
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Hey, I just had a quick question about using hamiltonians to determine energy levels.
I know that the eigenvalue of the hamiltonian applied to an eigenket is an energy level.

H |a> = E |a>

But my question is if I am given an equation for a specific Hamiltonian:

H = (something arbitrary)

And asked to find the energy levels of the object I am given that hamiltonian for (say a molecule or a particle) and no other information, what strategy do I use?
If the Hamiltonian is comprised of angular momentum operators, can I just say my object is an arbitrary eigenket = |n, l, m> and find the general eigenvalue of when my hamiltonian is applied to that?
 
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Buggy Virus said:
And asked to find the energy levels of the object I am given that hamiltonian for (say a molecule or a particle) and no other information, what strategy do I use?
Solve it using calculus, much like how you solve the eigenvalue equation for the famous infinite well potential. If the Hamiltonian is defined on a finite-dimensional Hilbert space, using matrix mechanics can be easier.
Buggy Virus said:
If the Hamiltonian is comprised of angular momentum operators, can I just say my object is an arbitrary eigenket = |n, l, m> and find the general eigenvalue of when my hamiltonian is applied to that?
You shouldn't do that. You have to check first whether those three quantum numbers represent good quantum numbers for your system. Consider the case where the Hamiltonian contains term like ##\mathbf L \cdot \mathbf S##, in this case at least ##m## will not be a good quantum number because ##L_z## does not commute with ##\mathbf L \cdot \mathbf S## and hence you can't use it to specify the eigenstates.
 
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If I were able to transform the Hamiltonian into terms that all commute with Lz would it be fine just to consider the system as an arbitrary |n, l, m> system?
 
Buggy Virus said:
I am given an equation for a specific Hamiltonian [...]
And asked to find the energy levels of the object I am given that hamiltonian for (say a molecule or a particle) and no other information, what strategy do I use?
You solve the eigenvalue problem for that Hamiltonian. In very simple cases analytically, in most cases numerically. For molecules, a famous package that you can use is Gaussian.
 
Buggy Virus said:
If I were able to transform the Hamiltonian into terms that all commute with Lz would it be fine just to consider the system as an arbitrary |n, l, m> system?
You actually have to find all operators which commute with the Hamiltonian to determine which quantum numbers can be used to uniquely specify each eigenstates. However, usually such task is aleviated by the number of degree of freedom. Usually the number of quantum numbers needed for unique identification is equal to the number of degree of freedom. If you find more than the number of degree of freedom, this operator should be a function of the other operators commuting with the Hamiltonian that you have found. For example, in 1D 1 particle system there should only be one quantum number for each eigenstate. For 3D systems and 1 electron such as hydrogen atom neglecting spin, you need three quantum numbers.
Just because a Hamiltonian commutes with ##L_z## does not mean that it also commutes with ##L^2##. Consider a term like ##kz## where ##k## is a constant, this term commutes with ##L_z## but does not with ##L^2##.
 

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