Ritz method in QM applied to a particular problem

In summary, the conversation discusses using the Ritz method to estimate the ground state energy for a given potential. The formula for estimating the energy is given, and it is mentioned that the Ritz method provides an upper bound for the ground state energy. The conversation then delves into the method for solving the problem, including splitting the Hamiltonian operator and using a trial wave-function. The concept of a variational principle is also mentioned, where the wave-function is guessed and the Hamiltonian is minimized to obtain the ground state energy. Finally, it is noted that in this particular example, the equation cannot be solved analytically and a numerical value for the parameter alpha must be obtained.
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Homework Statement


Using my classnotes and what the professor did, it is not clear to me as how I must tackle the following problem.
I'm given the potential ##V(x)= V_0 \left ( \frac{x^2}{2} -K \right ) e^{-a x^2}## where a>0.
I must estimate via Ritz method the ground state energy. I must use a trial wave-function ##\Psi \propto e^{-\alpha x^2}##.

Homework Equations


##E=\frac{\langle \Psi , \hat H \Psi \rangle }{||\Psi||^2}##.
I know that the energy value I should get is greater than the ground state energy, because the Ritz method gives an upper bound of the ground state energy.

The Attempt at a Solution


First confusion: in the formula ##E=\frac{\langle \Psi , \hat H \Psi \rangle }{||\Psi||}##, is psi a linear combination of pure states psi's. i.e. ##\Psi = \sum _{n=0} ^{\infty} c_n \psi## (which I believe so) or is it just ##\Psi =ce^{-\alpha x^2}##? To get us started on the exercise my professor used the second case, but I don't understand why.
So I've used the way my professor started us. I splitted the Hamiltonian operator into kinetic and potential energies operators. Yielding ##\langle \Psi , V(\hat x ) \Psi \rangle =c^2V_0 \sqrt \pi \left [ \frac{1}{2(2\alpha +a)^{3/2}} -\frac{K}{(2\alpha +a )^{1/2}} \right ]## (I think the units make sense). While ##\langle \Psi , \frac{\hat{\vec p }}{2m} \Psi \rangle =\frac{c^2\hbar ^2 \sqrt{\pi \alpha}}{2^{3/2}m}##.
I found the constant c by normalizing: ##\langle \Psi , \Psi \rangle =1 \Rightarrow c^2= \sqrt{\frac{2\alpha}{\pi}}##.

So that finally ##\langle \Psi , \hat H \Psi \rangle = \sqrt{\frac{2\alpha}{\pi}} V_0 \sqrt \pi \left [ \frac{1}{2(2\alpha +a)^{3/2}} -\frac{K}{(2\alpha +a)^{1/2}} \right ] + \sqrt{\frac{2\alpha}{\pi}} \frac{\hbar ^2 \sqrt{\pi \alpha}}{2^{3/2}m}##. I know I can simplify slighlty this last expression but my doubt is too big to continue. Why am I working on a single psi that is not a linear combinations of others?!
To continue, I should derivate that expression with respect to alpha and equate to 0? As if I was looking for a minimum in ##E(\alpha)## so I would obtain the value for alpha that minimize E. Is this correct?

Edit: I've derived the expression E(alpha) with respect to alpha and equated to 0 but it doesn't seem an easy job to isolate alpha.
 
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  • #2
This is also called the variational principle. You guess the wavefunction and calculate an upper bound for the ground state energy [itex]E_{0}[/itex].

So suppose you know the Hamiltonian [itex]H[/itex] but you don't know the wavefunction [itex]\psi[/itex]. You can say [itex]\psi=\sum_{n}c_{n}\psi_{n}[/itex], and [itex]H\psi_{n}=E_{n}\psi_{n}[/itex]. If we assume your wavefunction is normalized and that the set of [itex]\psi_{n}[/itex]'s is orthonormal, then [itex]1=\langle\psi|\psi\rangle=\langle\sum_{m}c_{m}\psi_{m}|\sum_{n}c_{n} \psi_{n}\rangle=\sum_{m,n}c_{m}^{*}c_{n}\langle\psi_{m}|\psi_{n}\rangle=\sum_{n}|c_{n}|^{2}[/itex].

Now, note that [itex]\langle H\rangle = \langle\sum_{m}c_{m}\psi_{m}|H\sum_{n}c_{n}\psi_{n}\rangle=\sum_{m,n}c_{m}^{*}E_{n}c_{n}\langle\psi_{m}|\psi_{n}\rangle=\sum_{n}E_{n}|c_{n}|^{2}[/itex]. Since [itex]E_{0}\leq E_{n}[/itex], we can conclude that [itex]\langle H\rangle \geq E_{0}\sum_{n}|c_{n}|^2=E_{0}[/itex].

If you minimize the Hamiltonian, then you'll get [itex]\langle H\rangle = E_{0}\sum_{n}|c_{n}|^2=E_{0}[/itex]. The formula that you are given follows and as you can see all you need to do is guess the wavefunction.

Also, remember what you do when you want to minimize something. GL
 
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  • #3
Thank you very much.
In my example my guess function isn't a linear combination of some "state functions". I've basically solved the problem and it involves apparently getting a numerical value for alpha (the parameter that I variate in my case) because the equation I get isn't solvable analytically.
 

Related to Ritz method in QM applied to a particular problem

1. What is the Ritz method in quantum mechanics?

The Ritz method is a variational approach used in quantum mechanics to solve for the energy levels and wavefunctions of a quantum system. It involves approximating the wavefunction of the system using a trial function, and then minimizing the expectation value of the energy using the trial function as a parameter.

2. How is the Ritz method applied to a particular problem in quantum mechanics?

The Ritz method is commonly applied to problems involving a potential function, such as the quantum harmonic oscillator or the hydrogen atom. The trial function is chosen to have the same form as the true wavefunction, but with adjustable parameters. These parameters are then varied to minimize the energy expectation value, giving an approximate solution to the problem.

3. What are the advantages of using the Ritz method in quantum mechanics?

The Ritz method allows for a simple and intuitive approach to solving for the energy levels and wavefunctions of a quantum system. It also allows for the inclusion of more complex potential functions that may not have analytic solutions. Additionally, the Ritz method can be easily extended to include perturbations in the potential, making it a powerful tool for solving a wide range of quantum problems.

4. Are there any limitations to the Ritz method in quantum mechanics?

One limitation of the Ritz method is that it is an approximation technique and may not give exact solutions to the quantum problem. The accuracy of the results depends on the choice of trial function and the number of parameters used. In some cases, the trial function may not be able to capture all the important features of the true wavefunction, leading to less accurate results.

5. How does the Ritz method compare to other methods in quantum mechanics?

The Ritz method is one of many approaches used in quantum mechanics, including the Schrödinger equation, the variational principle, and perturbation theory. Each method has its own advantages and limitations, and the most appropriate method to use depends on the specific problem at hand. The Ritz method is particularly useful for systems with complex potential functions, where analytic solutions may be difficult or impossible to find.

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