Math 2.0

Numerical analysis Numerical integration and differentiation Theorem

Lebedev quadrature

Builds on Quadrature ruleSphereGroupSpherical harmonics

Statement

Let S2⊂ℝ3S^2 \subset \R^3 be the unit sphere with its surface measure σ\sigma. Let 𝒪h\mathcal{O}_h be the group of the 4848 orthogonal maps of ℝ3\R^3 that map the cube [−1,1]3[-1, 1]^3 onto itself. Consider a rule Q(f)=∑x∈Xwxf(x)Q(f) = \sum_{x \in X} w_x f(x) on a finite set X⊂S2X \subset S^2 that is invariant: g(X)=Xg(X) = X and wg(x)=wxw_{g(x)} = w_x for all g∈𝒪hg \in \mathcal{O}_h and x∈Xx \in X. Let p≥0p \ge 0. Then two conditions are equivalent. The first is that Q(f)=∫S2f dσQ(f) = \int_{S^2} f \, d\sigma for every polynomial ff on ℝ3\R^3 of degree at most pp. The second is that this holds for every such polynomial with f∘g=ff \circ g = f for all g∈𝒪hg \in \mathcal{O}_h.

A Lebedev quadrature rule is an invariant rule of this kind with nodes on orbits of 𝒪h\mathcal{O}_h. It is chosen to be exact for all polynomials of degree at most pp.

Remarks

Proof idea: for any ff let fˉ=148∑g∈𝒪hf∘g\bar f = \frac{1}{48} \sum_{g \in \mathcal{O}_h} f \circ g. Both QQ and the integral are invariant under 𝒪h\mathcal{O}_h, so Q(f)=Q(fˉ)Q(f) = Q(\bar f) and ∫f dσ=∫fˉ dσ\int f \, d\sigma = \int \bar f \, d\sigma, and fˉ\bar f is an invariant polynomial of the same degree bound. This reduction is an instance of a theorem of Sobolev on invariant cubature. It cuts the number of equations from about (p+1)2(p+1)^2, the dimension of the spherical harmonics of degree at most pp, to the number of invariant ones. Example: the 66-point rule with nodes ±e1,±e2,±e3\pm e_1, \pm e_2, \pm e_3 and weights 4π6\frac{4\pi}{6} is invariant. On S2S^2 the invariant polynomials of degree at most 33 are constants, because odd ones change sign under x↦−xx \mapsto -x and the only invariant quadratic is x12+x22+x32=1x_1^2 + x_2^2 + x_3^2 = 1. Since the weights add up to 4π=σ(S2)4\pi = \sigma(S^2), the rule is exact up to degree 33; it fails for x14x_1^4, where it gives 4π3\frac{4\pi}{3} instead of 4π5\frac{4\pi}{5}.

Going deeper

For a student

Vyacheslav Lebedev computed such rules with many points and high degree, and they are standard in quantum chemistry, where integrals over directions appear in density functional theory. Compared with product rules in spherical coordinates, they use fewer points for the same degree and do not crowd points near the poles. The underlying principle, reducing exactness to the invariant functions of a symmetry group, is used for cubature on many other domains.

Reading path

To understand this page from the ground up, read these 5 pages in order. The foundations come first.

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  1. Group concept
  2. Quadrature rule concept
  3. Sphere concept
  4. Spherical harmonics concept
  5. Lebedev quadrature statement

Further reading

  1. Web https://en.wikipedia.org/wiki/Lebedev_quadrature
About this page
TagEGQ3CJDH0D
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Kindstatement, theorem
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MSC65D32, 41A55, 33C55
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AboutQuadrature rule
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