Commutation of operators for particle in a box

  • Context: Undergrad 
  • Thread starter Thread starter hokhani
  • Start date Start date
Click For Summary
SUMMARY

The discussion focuses on the commutation relation between the Hamiltonian operator ##\hat{H}## and the momentum operator ##\hat{P}## for a particle in a one-dimensional box. It is established that the commutator ##[\hat{H}, \hat{P}] = [\frac{\hat{P}^2}{2m}, \hat{P}] + [V(x), \hat{P}]##, where the first term is zero, but the second term is non-zero due to the potential's dependence on position. The potential ##V(x)## is identified as troublesome because it is not differentiable at the walls of the box, leading to the conclusion that ##\hat{H}## and ##\hat{P}## cannot be simultaneously diagonalized.

PREREQUISITES
  • Quantum mechanics fundamentals, specifically operator algebra.
  • Understanding of commutation relations in quantum mechanics.
  • Familiarity with the concept of Hilbert spaces and eigenfunctions.
  • Knowledge of potential energy functions in quantum systems.
NEXT STEPS
  • Study the implications of the commutation relation in quantum mechanics.
  • Explore the properties of the Hamiltonian operator in quantum systems.
  • Investigate the behavior of wave functions in infinite and finite potential wells.
  • Learn about the mathematical treatment of discontinuous functions in quantum mechanics.
USEFUL FOR

Students and professionals in quantum mechanics, physicists analyzing particle systems, and researchers studying operator theory in quantum physics will benefit from this discussion.

hokhani
Messages
581
Reaction score
20
TL;DR
How to calculate ##[H, P}## for a particle in a box?
I would like to know how to calculate the ##[\hat{H}, \hat{P}]## for a particle in a 1D box? At the first glance it seems that they commute but they don't get diagonalized in identical basis. How to calculate this commutation?
 
Physics news on Phys.org
hokhani said:
At the first glance it seems that they commute
Does it? We have ##[H,P]=[P^2/2m,P]+[V(x),P]##; the first term is trivially zero but there’s no reason to expect the second one to be.

You can calculate the in general non-zero second term by applying it to an arbitrary test function: what is ##[V(x),P]\psi(x)## when you expand the commutator?
 
  • Like
Likes   Reactions: Demystifier and hokhani
Finite walls or infinite walls? Start down by writing the Hilbert space, then the two operators. You may discover that the commutator is not even defined...
 
  • Like
Likes   Reactions: hokhani and Nugatory
Well usually ##[f(x),p]=i\hbar \partial f/\partial x ##, for a function ##f(x)##, but the potential here is kind of troublesome.
 
pines-demon said:
Well usually ##[f(x),p]=i\hbar \partial f/\partial x ##, for a function ##f(x)##, but the potential here is kind of troublesome.
I don't see why the potential is "troublesome"; it's a function of ##x## whose derivative won't in general be zero, so it won't commute with ##p##.
 
dextercioby said:
You may discover that the commutator is not even defined...
In which case it's certainly not zero. So either way the OP's expectation of being able to find a common diagonalization for ##H## and ##P## is false.
 
PeterDonis said:
I don't see why the potential is "troublesome"; it's a function of ##x## whose derivative won't in general be zero, so it won't commute with ##p##.
The potential is not a function that is differentiable in the usual way (at least not for the infinite well, for the finite well you might use Dirac deltas).

Edit: typo
 
Last edited:
Nugatory said:
Does it? We have ##[H,P]=[P^2/2m,P]+[V(x),P]##; the first term is trivially zero but there’s no reason to expect the second one to be. what is ##[V(x),P]\psi(x)## when you expand the commutator?
Very nice separation of the Hamiltonian. If we take ##\psi(x)=\sum_m a_m \psi_m## where ##\psi_m## are the eigenfunction of the Hamiltonian, then it seems that we have ##[V(x),P]\psi(x)=0## since inside the box (##|x|<L##) the potential is zero ##V(x)=0## and for ##|x| \geq L## we have ##\psi_m=0##!
 
dextercioby said:
Finite walls or infinite walls? Start down by writing the Hilbert space, then the two operators. You may discover that the commutator is not even defined...
For infinite walls I did that in the post #8.
 
  • #10
hokhani said:
If we take ##\psi(x)=\sum_m a_m \psi_m## where ##\psi_m## are the eigenfunction of the Hamiltonian, then it seems that we have ##[V(x),P]\psi(x)=0## since inside the box (##|x|<L##) the potential is zero ##V(x)=0## and for ##|x| \geq L## we have ##\psi_m=0##!
Take ##\psi(x)## to be an arbitrary function and expand the commutator. You will end up with a term proportional to ##\frac{dV}{dx}##, which works just fine when ##V## is continuous and is in general non-zero (but is zero where ##V## is constant, which creates the "at first glance" illusion in your original post).

But ##V## is discontinuous at the walls so that derivative is not defined there.
 
  • Like
Likes   Reactions: hokhani
  • #11
Nugatory said:
which works just fine when ##V## is continuous
The usual textbook demonstration for ##~[V(X),P]=iV'(X)~## assumes that ##~V(x),~V'(x)~## can be expanded as power series. Can you generalize it to other differentiable (let alone continuous) functions?
 
  • #12
hokhani said:
Very nice separation of the Hamiltonian. If we take ##\psi(x)=\sum_m a_m \psi_m## where ##\psi_m## are the eigenfunction of the Hamiltonian, then it seems that we have ##[V(x),P]\psi(x)=0## since inside the box (##|x|<L##) the potential is zero ##V(x)=0## and for ##|x| \geq L## we have ##\psi_m=0##!
So you assume ##~\infty\cdot0=0~## ?
 
  • Like
Likes   Reactions: hokhani
  • #13
pines-demon said:
The potential is not a function that is derivable in the usual way (at least not for the infinite well, for the finite well you might use Dirac deltas).
What does "derivable" mean? If you mean sometimes you can't derive its form from first principles, so what? That's true of lots of physics problems; you just have to guess the form of a function.

If you mean its derivative isn't always well-defined, yes, that's true--I addressed that case in post #6.
 
  • #14
PeterDonis said:
What does "derivable" mean? If you mean sometimes you can't derive its form from first principles, so what? That's true of lots of physics problems; you just have to guess the form of a function.

If you mean its derivative isn't always well-defined, yes, that's true--I addressed that case in post #6.
My bad, I meant differentiable.
 
  • #15
JimWhoKnew said:
So you assume ##~\infty\cdot0=0~## ?
Right, it is undefined. However, still another problem remains:
The eigenfunctions of the particle in box, ##\psi_m(x)##, should form a complete basis and any function, ##\psi(x)##, seems to be expanded as ##\psi(x)=\sum_m a_m \psi_m(x)## while ##\psi_m(x)## is zero outside the box!
 
Last edited:
  • Like
Likes   Reactions: JimWhoKnew
  • #16
hokhani said:
Right, it is undefined. However, still another problem remains:
The eigenfunctions of the particle in box, $\psi_m(x)$, should form a complete basis and any function, $\psi(x)$, seems to be expanded as $\psi(x)=\sum_m a_m \psi_m(x)$ while $\psi_m(x)$ is zero outside the box!
The "pathology" of the infinite potential reduces the Hilbert space from ##~\text{L}^2(-\infty,\infty)~## to ##\text{L}^2(-L,L)~,~\psi(\pm L)=0~## . Therefore we should no longer expect to span the functions outside the box.

If you consider finite potentials in the limit that their "height" tends to infinity, you can see that they are all free from the problems you've noted above, and$$\psi(\pm L)\rightarrow 0 \quad,\quad \psi(L<|x|)\rightarrow0$$as expected.

While you are at it, try to find the error in the following argument:$$i\hbar \delta(0)=\langle x |i\hbar| x \rangle=\langle x |[X,P]| x \rangle=\langle x |XP| x \rangle-\langle x |PX| x \rangle=x\langle x |P| x \rangle-\langle x |P| x \rangle x=0$$

BTW: use of the "preview" option before posting is always recommended.
 
  • Like
Likes   Reactions: dextercioby
  • #17
JimWhoKnew said:
While you are at it, try to find the error in the following argument:$$i\hbar \delta(0)=\langle x |i\hbar| x \rangle=\langle x |[X,P]| x \rangle=\langle x |XP| x \rangle-\langle x |PX| x \rangle=x\langle x |P| x \rangle-\langle x |P| x \rangle x=0$$

BTW: use of the "preview" option before posting is always recommended.
I look for the error in the term ##\langle x |P| x \rangle=-i\hbar \frac{\partial}{\partial x} \delta(0)## which seems undefined.
Thanks for regarding the preview check, but I don't know why my preview sometimes doesn't work!
 

Similar threads

  • · Replies 14 ·
Replies
14
Views
2K
  • · Replies 32 ·
2
Replies
32
Views
3K
  • · Replies 12 ·
Replies
12
Views
764
  • · Replies 4 ·
Replies
4
Views
795
  • · Replies 17 ·
Replies
17
Views
3K
Replies
2
Views
2K
  • · Replies 5 ·
Replies
5
Views
1K
  • · Replies 2 ·
Replies
2
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 4 ·
Replies
4
Views
3K