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I just studied the rep theory of $SU(2)$ (now I know its the double cover of $SO(3)$ so I guess their reps are highly similar) and I also know spherical harmonics (I will use SH for short) are the complete basis of function $S^2\rightarrow C$.

There indeed exists some materials on this topic, but most are out of purely algebraic approach. So I can't grasp the logic and intuition behind this fact.

$SO(3)$ is the group used to describe the 3D rotation, which I can almost definitely claim that, the domain of definition of SH is "$S^2$", is not a coincidence. Intuitively I guess if $G$ is a group and can act on some space $M$, then the action can somehow induce a rep of $G$ whose rep space is $M$, then the rep on $M$ can somehow form a basis of the space of function $M \rightarrow C$.

I don't know how to make my statement formally. I wonder whether the previous description can be constructed systematically, or just some confusing hugwash.

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    $\begingroup$ Peter whale theorem gives a method for obtaining a basis for $L^2$ functions on SO(3). However spherical harmonics are $L^2$ functions on $S^2$, which is not $SO(3)$ but rather the homogenous space $SO(3)/SO(2)$ of $SO(3)$, so obtaining spherical harmonics is a slight variation of the theorem. See this answer: math.stackexchange.com/a/4174251/444199 $\endgroup$
    – Er Jio
    Commented Oct 1 at 18:17
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    $\begingroup$ WEYL, not "whale"! $\endgroup$ Commented Oct 1 at 18:21

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At fixed $l$, the $2l+1$ spherical harmonics:

$$ Y_l^m(\theta, \phi) \ \ \ m \in [-l, -l+1, \cdots, l-1, l] $$

are a $2l+1$ dimensional irreducible$^1$ representation of $SO(3)$, with Casimir invariant $l(l+1)$. [1] means they are closed under rotations, so for some arbitrary rotation, $R_{{\bf r} \rightarrow {\bf r'}}$:

$$ Y_l^m(\theta', \phi')= \sum_{m'=-l}^l \big[D^{(l)}_{mm'}(R)\big]^*Y_l^{m'}(\theta, \phi) $$

That is: dipoles rotate into other dipoles, quadrupoles rotate into other quadrupoles, and so on.

I'm not sure how it relates to representation theory, but one thing that makes the $Y_l^m(\theta,\phi)$ useful in physics is that they are eigenfunctions under $z$-rotations, with eigenvalue $\exp(im\phi)$:

$$ R_{\phi}\big[Y_l^m(\theta, \phi)\big] = e^{im\phi} Y_l^m(\theta, \phi)$$

and also something that is not obvious (to me) from pictures of atomic orbitals:

$$ \sum_{m=-l}^l ||Y_l^m(\theta, \phi)||^2 \propto 1 $$

that is, a closed shell is isotropic, it has spherical symmetry.

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    $\begingroup$ actually the spherical harmonics are basis functions that span the carrier space of a $2\ell+1$ dimensional irrep, aka they carry the irreps or transform by the irrep, rather than being the irrep itself. The irrep would be the rotation matrices, as maps from the group elements to matrices so that the multiplication rule of elements is preserved. $\endgroup$ Commented Oct 13 at 22:44
  • $\begingroup$ @ZeroTheHero thanks for that. I've always had trouble with the mathy part where what's a group, an algebra, a representation, or new-to-me: what carries an irrep. $\endgroup$
    – JEB
    Commented Oct 14 at 2:35
  • $\begingroup$ yes the vector space spanned by the basis is (sometimes) called the "carrier space". I should add that the spherical harmonics $\{Y_\ell^m(\theta,\varphi) ,m=-\ell,\ldots,\ell\}$ for fixed $(\theta,\varphi)$ form a basis, i.e. a rotation parametrized by $\Omega$ (3 angles) can still act on the spherical harmonics, which are parametrized by $2$ angles: $R(\Omega)Y_{\ell}^m(\theta,\varphi)=\sum_{m'} Y_{\ell}^{m'}(\theta,\varphi) D^\ell_{m'm}(\Omega)$. $\endgroup$ Commented Oct 14 at 3:37
  • $\begingroup$ Basically you think of $Y_\ell^m(\theta,\varphi)$ "in the physicist's way" as $\langle \theta\varphi\vert \ell m\rangle$ and the action of $R(\Omega)$ is via $\langle \theta\varphi\vert \left[R(\Omega)\vert \ell m\rangle\right]$. $\endgroup$ Commented Oct 14 at 3:39
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    $\begingroup$ Also if you are really really really mathy, then there's a refinement in the jargon, with the use of "modules". In physics, the carrier space is occasionally confounded with the representations (v.g. the quarks are in the representation $\textbf{3}$ of su(3)). The rep should technically be the matrices of the group elements (or the elements in the algebra). $\endgroup$ Commented Oct 14 at 3:56
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You could do worse than simply going to your text, e.g., Modern Quantum Mechanics (3rd Ed) by J J Sakurai & Jim Napolitano, and reviewing the definition, $$\langle \hat {\mathbf n}|\ell, m\rangle= Y^m_\ell (\theta, \phi)=Y^m_\ell (\hat {\mathbf n}). \tag{3.232}$$

Recall that $\langle \hat {\mathbf n}|L_z= -i\partial_\phi \langle \hat {\mathbf n}|~; \quad \langle \hat {\mathbf n}|{\mathbf L}^2= -\frac{1}{\sin^2\theta}\left (\sin\!\theta ~\partial_\theta ~ \sin\!\theta ~\partial_\theta +\partial_\phi^2 \right)\langle \hat {\mathbf n}|$. The representation logic is then self-evident from $L_z|\ell, m\rangle = m|\ell, m\rangle $ and ${\mathbf L}^2|\ell, m\rangle= \ell(\ell+1)|\ell, m\rangle $.

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