Commutation of operators for particle in a box

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Discussion Overview

The discussion revolves around the calculation of the commutation relation between the Hamiltonian operator ##\hat{H}## and the momentum operator ##\hat{P}## for a particle in a one-dimensional box. Participants explore the implications of different potential forms (finite vs. infinite walls) and the mathematical intricacies involved in defining and calculating the commutator.

Discussion Character

  • Technical explanation
  • Debate/contested
  • Mathematical reasoning

Main Points Raised

  • Some participants suggest that at first glance, the operators seem to commute, but further analysis indicates that the second term of the commutation relation may not be zero.
  • There is a discussion about whether the potential is "troublesome," with some arguing that it is not differentiable in the usual way for infinite walls, while others counter that it is simply a function of ##x## whose derivative is not generally zero.
  • One participant proposes that the commutator may not even be defined, particularly for infinite walls, which challenges the expectation of finding a common diagonalization for ##\hat{H}## and ##\hat{P}##.
  • Another participant emphasizes that the eigenfunctions of the particle in a box should form a complete basis, but raises concerns about the implications of the potential being zero outside the box.
  • There is a suggestion to consider the limit of finite potentials as their height tends to infinity to avoid the issues noted with the infinite potential well.
  • Participants engage in a mathematical exploration of the commutator, discussing the implications of continuity and differentiability of the potential function.
  • One participant questions the validity of an argument involving the delta function and its implications for the commutation relation.

Areas of Agreement / Disagreement

Participants express differing views on the nature of the potential and its differentiability, as well as the implications for the commutation relation. There is no consensus on whether the commutator is defined or whether the operators commute.

Contextual Notes

Limitations include the potential's behavior at the boundaries of the box, the definition of the commutator in the context of discontinuous functions, and the implications of the Hilbert space structure for infinite versus finite potentials.

hokhani
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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?
 
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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?
 
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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...
 
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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
 
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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.
 
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  • #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~## ?
 
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  • #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!
 
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  • #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.
 
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  • #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!
 

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