The function is notable for the following combination of properties:
- It is a harmonic function:
- It vanishes at the origin together with its gradient.
- It is positive on the cone
The cone C has the opening angle which is known as the magic angle in the context of NMR spectroscopy. Let us consider the mathematical side of its magic.
If C is replaced by any other cone, the properties 1-2-3 cannot be satisfied by a harmonic function in a neighborhood of the origin. That is, C is the largest cone such that a harmonic function can have a critical point at its vertex which is also a point of its extremum on the cone. Why is that?
Let be a harmonic function in some neighborhood of and suppose , , and on some cone . Expand into a sum of polynomials where each is a harmonic homogeneous polynomial of degree . Let be the smallest integer such that is not identically zero. Then has the same properties as itself, since it dominates the other terms near the origin. We may as well replace by : that is, is a spherical harmonic from now on.
Rotating around the -axis preserves all the properties of interest: harmonic, positive on the cone, zero gradient at the origin. Averaging over all these rotations we get a rotationally symmetric function known as a zonal spherical harmonic. Up to a constant factor, such a function is given by where is a spherical coordinate (angle with the -axis) and is the Legendre polynomial of degree .
The positivity condition requires for . In other words, the bound on comes from the greatest zero of the Legendre polynomial. As is true for orthogonal polynomials in general, the zeros are interlaced: that is, the zeros of appear strictly between any two consecutive zeros of . It follows that the value of the greatest zero grows with . Thus, it is smallest when . Since , the zero of interest is , and we conclude that . Hence the magic angle.
The magic angle is easy to visualize: it is formed by an edge of a cube and its space diagonal. So, the magic cone with vertex at (0,0,0) is the one that passes through (1, 1, 1), as shown above.
In other dimensions the zonal harmonics are expressed in terms of Gegenbauer polynomials (which reduce to Chebyshev polynomials in dimensions 2 and 4). The above argument applies to them just as well. The relevant Gegenbauer polynomial of degree is up to a constant. Thus, in the magic angle is , illustrated by the harmonic function .
This analysis is reminiscent of the Hopf Lemma which asserts that if a positive harmonic function in a smooth domain has boundary value 0 at some point, the normal derivative cannot vanish at that point. The smoothness requirement is typically expressed as the interior ball condition: one can touch every boundary point by a ball contained in the domain. The consideration of magic angles shows that if the function is also harmonic in a larger domain, the interior ball condition can be replaced by the interior cone condition, provided that the opening angle of the cone is greater than .