Lean, informalized

Nielsen & Chuang · Chapter 7, Quantum computers: physical realization · p. 300

Exercise 7.16 - The dipole overlap vanishes unless the orbital quantum number changes by one, and, for the components Y1,±1Y_{1,\pm 1}, unless the magnetic one does too

Dipole selection rules for the orbital and magnetic quantum numbers.

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The Exercise

An electron bound in a central potential has orbital states |ℓ,m⟩|\ell, m\rangle whose angular wavefunctions are the spherical harmonics Yℓm(θ,ϕ)Y_{\ell m}(\theta, \phi), with ℓ≥0\ell \geq 0 the orbital and mm the magnetic quantum number. Light drives transitions between these states through the electric dipole moment −er→-e\vec{r} of the electron, with ee the elementary charge and r→\vec{r} its position. In terms of r=|r→|r = |\vec{r}|, the components zz and x±iyx \pm iy of the position are, up to constants, rY10r Y_{10} and rY1,±1r Y_{1,\pm 1}. The matrix element of the dipole between |ℓ2,m2⟩|\ell_2, m_2\rangle and |ℓ1,m1⟩|\ell_1, m_1\rangle is then a radial integral times an angular one, the integral over the sphere of Yℓ1m1*Y1mYℓ2m2Y^*_{\ell_1 m_1} Y_{1m} Y_{\ell_2 m_2}.

The electric dipole selection rules say when the angular integral can be nonzero: only if ℓ\ell changes by one and, for the components x±iyx \pm iy, only if mm changes by one as well.

Spherical Harmonics

For an integer ℓ≥0\ell \geq 0 and an integer mm, the normalization constant NℓmN_{\ell m} of the spherical harmonic YℓmY_{\ell m} is the real number Nℓm=(−1)|m|2ℓℓ!2ℓ+14π(ℓ−|m|)!(ℓ+|m|)!.N_{\ell m} = \frac{(-1)^{|m|}}{2^\ell\, \ell!} \sqrt{\frac{2\ell + 1}{4\pi}\, \frac{(\ell - |m|)!}{(\ell + |m|)!}} .(1)✦

The polar part Θℓm\Theta_{\ell m} of YℓmY_{\ell m} is the real function of the polar angle θ\theta Θℓm(θ)=Nℓmsin⁡|m|θdℓ+|m|dxℓ+|m|(x2−1)ℓ|x=cos⁡θ.\Theta_{\ell m}(\theta) = N_{\ell m}\, \sin^{|m|}\theta\, \left. \frac{d^{\ell + |m|}}{dx^{\ell + |m|}} \bigl(x^2 - 1\bigr)^\ell \right|_{x = \cos\theta} .(2)✦

Multiplying by the azimuthal phase gives the spherical harmonic YℓmY_{\ell m}, the complex function of the polar angle θ\theta and the azimuth ϕ\phi Yℓm(θ,ϕ)=Θℓm(θ)eimϕ.Y_{\ell m}(\theta, \phi) = \Theta_{\ell m}(\theta)\, e^{i m \phi} .(3)✦

The Dipole Overlap

For integers ℓ1,ℓ2≥0\ell_1, \ell_2 \geq 0 and m1,m,m2m_1, m, m_2, the dipole overlap ⟨ℓ1m1|Y1m|ℓ2m2⟩\langle \ell_1 m_1 | Y_{1m} | \ell_2 m_2 \rangle is the complex number ⟨ℓ1m1|Y1m|ℓ2m2⟩=∫0π(∫02πYℓ1m1*(θ,ϕ)Y1m(θ,ϕ)Yℓ2m2(θ,ϕ)dϕ)sin⁡θdθ,\langle \ell_1 m_1 | Y_{1m} | \ell_2 m_2 \rangle = \int_0^\pi \left( \int_0^{2\pi} Y^*_{\ell_1 m_1}(\theta, \phi)\, Y_{1m}(\theta, \phi)\, Y_{\ell_2 m_2}(\theta, \phi)\, d\phi \right) \sin\theta\, d\theta ,(4)✦ the angular integral of the exercise, taken with the surface element dΩ=sin⁡θdθdϕd\Omega = \sin\theta\, d\theta\, d\phi.

The Claim

Theorem 1. Let ℓ1,ℓ2≥0\ell_1, \ell_2 \geq 0 and m1,m,m2m_1, m, m_2 be integers such that the dipole overlap ⟨ℓ1m1|Y1m|ℓ2m2⟩\langle \ell_1 m_1 | Y_{1m} | \ell_2 m_2 \rangle is nonzero. Then ℓ2−ℓ1=±1.\ell_2 - \ell_1 = \pm 1 .(5)✦ If moreover m=±1m = \pm 1, then m2−m1=±1.m_2 - m_1 = \pm 1 .(6)✦

What Is Checked

The claim is stated over the dipole overlap (4) of the spherical harmonics (3), built from their polar parts (2) and normalization constants (1). What the library proves about these constructions is the pair of selection rules: (5) for every integer mm, and (6) for m=±1m = \pm 1.