Given a Hamiltonian, finding the energy levels

In summary, the conversation discusses using Hamiltonians to determine energy levels. It is mentioned that the eigenvalue of the Hamiltonian applied to an eigenket is an energy level. The question is raised about finding energy levels when given a specific Hamiltonian for an object (such as a molecule or particle) without any other information. The recommended strategy is to solve the eigenvalue problem, either analytically or numerically. It is also mentioned that for molecules, a commonly used package is Gaussian. The topic of determining good quantum numbers for a system is also brought up, and it is noted that the number of quantum numbers needed is usually equal to the number of degrees of freedom. Overall, it is important to consider all operators that commute with the
  • #1
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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  • #2
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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  • #3
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?
 
  • #4
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.
 
  • #5
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##.
 

1. What is a Hamiltonian in quantum mechanics?

A Hamiltonian is a mathematical operator that represents the total energy of a quantum system. It takes into account both the kinetic and potential energy of the system.

2. How do you find the energy levels of a given Hamiltonian?

The energy levels of a given Hamiltonian can be found by solving the Schrödinger equation, which describes the time evolution of a quantum system. This equation can be solved analytically for simple systems, but for more complex systems, numerical methods are often used.

3. What factors can affect the energy levels of a system?

The energy levels of a system can be affected by a variety of factors, such as the strength of the potential energy, the mass of the particles in the system, and the presence of external forces or fields.

4. Can the energy levels of a system be measured experimentally?

Yes, the energy levels of a system can be measured experimentally using techniques such as spectroscopy, which involves shining light onto a system and analyzing the resulting emission or absorption spectra.

5. How do the energy levels of a quantum system relate to its physical properties?

The energy levels of a quantum system determine the possible values of its physical properties, such as its position, momentum, and angular momentum. The energy levels also dictate the behavior of the system, such as the probability of finding a particle in a certain location.

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