Inner products with spherical harmonics in quantum mechanics

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Discussion Overview

The discussion revolves around the calculation of inner products involving spherical harmonics and the operator ##\cos(\theta)## in the context of quantum mechanics. Participants explore the implications of parity and the properties of spherical harmonics in relation to angular momentum eigenstates.

Discussion Character

  • Technical explanation
  • Conceptual clarification
  • Debate/contested
  • Mathematical reasoning

Main Points Raised

  • One participant questions whether ##\langle l,m|cos(\theta)|l,m'\rangle=0## holds true for the same ##l## even if ##m##'s are equal, and seeks clarification on the role of parity.
  • Another participant challenges the notion that ##\cos(\theta)## can be treated as an operator in the context presented.
  • A different viewpoint asserts that ##\cos(\theta)## can be treated as an operator and suggests using the Wigner-Eckart theorem to evaluate the matrix elements.
  • One participant proposes expressing ##\cos(\theta)## in terms of spherical harmonics and using their orthogonality to compute the integral.
  • Another participant discusses the parity of the operator ##\cos(\theta)## and its implications for the matrix elements, noting that the parity of ##\cos(\theta) Y_{l}^m## is ##(-1)^{l+1}##.
  • There is a discussion about the antisymmetry of the integrand under the transformation ##\theta \rightarrow \pi - \theta##, leading to the conclusion that the integral vanishes.
  • One participant confirms that the integral can be computed by substituting ##z=\cos\theta##, resulting in the integral of an odd function that also vanishes.
  • Another participant clarifies the definition of the scalar product for functions on the unit sphere and emphasizes that the integral over ##\theta## alone leads to a vanishing result.
  • Finally, there is a question about rewriting the integral in terms of ##\cos(\theta)## and the feasibility of integrating from ##-1## to ##1##.

Areas of Agreement / Disagreement

Participants express differing views on the treatment of ##\cos(\theta)## as an operator and the implications of parity on the matrix elements. While some participants agree on the vanishing of the integral under certain conditions, the discussion remains unresolved regarding the broader implications and methods of calculation.

Contextual Notes

Participants mention the need for understanding the properties of Wigner 3j-symbols and the orthogonality of spherical harmonics, indicating that certain assumptions and mathematical steps are necessary for the calculations discussed.

Salmone
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Let ##|l,m\rangle## be a simultaneous eigenstate of operators ##L^2## and ##L_z## and we want to calculate ##\langle l,m|cos(\theta)|l,m'\rangle## where ##\theta## is the angle ##[0,\pi]##. It is true that in general ##\langle l,m|cos(\theta)|l,m'\rangle=0## ##(1)## for the same ##l## even if m's are equal? Why?

For example ##\langle1,0|cos(\theta)|1,0\rangle= \int_{}^{} (Y_1^0)^{*}cos(\theta)Y_1^0 \,d\Omega ## is this zero? Does the fact that equation (1) applies have anything to do with parity?
 
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Salmone said:
we want to calculate ##\langle l,m|cos(\theta)|l,m'\rangle## where ##\theta## is the angle ##[0,\pi]##.
What does this even mean? ##\cos(\theta)## isn't an operator.
 
Of course ##\cos \theta## is an operator. The trick to get the matrix elements wrt. the angular-momentum eigenstates is to use the socalled Wigner Eckart theorem to evaluate matrix elements of tensor-operator components. In your case you have ##z=r \cos \theta##, i.e., you can evaluate the corresponding expectation values considering the position-vector components ##\vec{x}##, using the Wigner-Eckart theorem.

https://en.wikipedia.org/wiki/Wigner–Eckart_theorem
 
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It isn't an operator in the form in which the OP used it, i.e. on abstract vectors in Hilbert space.

To calculate the integral in the OP I would write ##\cos\theta## in terms of spherical harmonics. Then you can look up an expansion for the product of two spherical harmonics in terms of a sum of single spherical harmonics (involves Wigner 3j -symbols which you'll need to understand the properties of). From there you can compute the integral using the orthogonality of spherical harmonics.
 
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That's of course another possibility and equivalent with the use of the Wigner-Eckart theorem :-).
 
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Thank you for all your answers, I'd like to know how to say instantly that ##\langle lm|cos(\theta)|lm'\rangle=0## using the parity where ##|lm\rangle=Y_l^m(\theta,\phi)##. Is there a way to prove it? By "using parity" I mean something like: spherical harmonics parity is equal to ##(-1)^lY_l^m## and ##cos(\pi-\theta)=-cos(\theta)##
 
Since ##\cos \theta=z/r## the parity of this operator is ##(-1)##, because the position vector is a polar vector and ##r=|\vec{x}|## is a scalar. Thus the parity of ##\cos \theta Y_{l}^m## is ##(-1)^{l+1}##. Since the spherical harmonics are parity eigenstates, the matrix element is the same ##l## must vanish (or with different ##l## of the same parity, i.e., with both ##l## even or both odd).
 
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@vanhees71 I can't get the last passage, why the matrix element in the same ##l## must vanish? If possible, could you be more explicit please?
 
Obviously ##\cos \theta Y_{l}^m(\theta,\phi)## has the opposite parity than ##Y_{l}^{m'}(\theta,\phi)##. That implies that the integrand in the integral of the matrix element is antisymmetric under ##\theta \rightarrow \pi-\theta##, which makes the integral over ##\theta \in [0,\pi]## vanish.

Indeed if ##f(\theta)=-f(\pi-\theta)## you have on the one hand
$$I=\int_0^{\pi} \mathrm{d} \theta \sin \theta f(\theta).$$
Now substitute ##\theta'=\pi-\theta##
$$I=\int_0^{\pi} \mathrm{d} \theta' \sin(\pi-\theta') f(\pi-\theta').$$
Now ##\sin(\pi-\theta')=\sin \theta'## and by assumption ##f(\pi-\theta')=-f(\theta')##, i.e.,
$$I=-\int_0^{\pi} \mathrm{d} \theta' \sin \theta' f(\theta')=-I \; \Rightarrow \; I=0.$$
 
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  • #10
Salmone said:
For example ##\langle L,0|cos(\theta)L,0\rangle= \int_{}^{} (Y_L^0)^{*}cos(\theta)Y_L^0 \,d\Omega ## is this zero?
It's just simple integration. After the substitution ##z=\cos\theta##, the integral becomes ##\int_{-1}^{+1}dz## of an odd function of z which vanishes.
 
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  • #11
The scalar product for functions on the unit sphere is defined by
$$\langle f|g \rangle=\int_0^{\pi} \mathrm{d} \theta \int_0^{2 \pi} \mathrm{d} \phi \sin \theta f^*(\theta,\phi) g(\theta,\phi).$$
In my calculation
$$f(\theta)=Y_l^{m*}(\theta,\varphi) Y_l^{m'}(\theta,\varphi) \cos \theta.$$
The integral over ##\theta## alone makes the integral vanish, no matter what the ##\phi## dependence is. The ##\sin \theta## must be in the integral because of the definition of the scalar product for ##\mathrm{L}^2(\Omega)##, where ##\Omega## is the unit sphere in ##\mathbb{R}^3##.
 
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  • #12
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  • #13
One last thing, is it possible to write the integral as ##\int_{-1}^{1} \mathrm{d} cos\theta \int_0^{2 \pi} \mathrm{d} \phi f^*(\theta,\phi) g(\theta,\phi)## so that I'm integrating from ##-1## to ##1## an odd function?
 
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  • #14
Sure. Just substitute ##u=\cos \theta##. Then ##\mathrm{d} u =-\mathrm{d} \theta \sin \theta## and thus
$$\langle f|g \rangle = \int_{-1}^1 \mathrm{d} u \int_0^{2 \pi} \mathrm{d} \phi f^* g,$$
where I wrote in a somewhat sloppy notation.
 
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