Ritz method in QM applied to a particular problem

Click For Summary
SUMMARY

The discussion focuses on applying the Ritz method to estimate the ground state energy of a quantum mechanical system with the potential \( V(x) = V_0 \left( \frac{x^2}{2} - K \right) e^{-a x^2} \) where \( a > 0 \). The trial wave function used is \( \Psi \propto e^{-\alpha x^2} \). Participants clarify that the Ritz method provides an upper bound for the ground state energy and emphasize the importance of minimizing the energy expression \( E(\alpha) \) by differentiating with respect to \( \alpha \) and setting the derivative to zero. The discussion also highlights the necessity of normalizing the wave function and understanding the variational principle.

PREREQUISITES
  • Understanding of the Ritz method in quantum mechanics
  • Familiarity with the variational principle
  • Knowledge of Hamiltonian operators and their components
  • Ability to perform normalization of wave functions
NEXT STEPS
  • Study the variational principle in quantum mechanics in detail
  • Learn about Hamiltonian operators and their applications in quantum systems
  • Explore numerical methods for solving non-analytical equations
  • Investigate the properties of Gaussian wave functions in quantum mechanics
USEFUL FOR

Quantum mechanics students, physicists working on variational methods, and researchers interested in computational approaches to estimating ground state energies.

fluidistic
Gold Member
Messages
3,932
Reaction score
283

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.
 
Last edited:
Physics news on Phys.org
This is also called the variational principle. You guess the wavefunction and calculate an upper bound for the ground state energy E_{0}.

So suppose you know the Hamiltonian H but you don't know the wavefunction \psi. You can say \psi=\sum_{n}c_{n}\psi_{n}, and H\psi_{n}=E_{n}\psi_{n}. If we assume your wavefunction is normalized and that the set of \psi_{n}'s is orthonormal, then 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}.

Now, note that \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}. Since E_{0}\leq E_{n}, we can conclude that \langle H\rangle \geq E_{0}\sum_{n}|c_{n}|^2=E_{0}.

If you minimize the Hamiltonian, then you'll get \langle H\rangle = E_{0}\sum_{n}|c_{n}|^2=E_{0}. 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
 
Last edited:
  • Like
Likes   Reactions: 1 person
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.
 

Similar threads

  • · Replies 10 ·
Replies
10
Views
3K
Replies
24
Views
3K
Replies
1
Views
2K
Replies
16
Views
3K
  • · Replies 1 ·
Replies
1
Views
3K
  • · Replies 21 ·
Replies
21
Views
2K
  • · Replies 0 ·
Replies
0
Views
2K
  • · Replies 0 ·
Replies
0
Views
2K
Replies
29
Views
2K
Replies
7
Views
3K