Mathematical Methods in Quantum Mechanics X: The Uncertainty Principle and the Harmonic OscillatorTextbook
Motivation
The quantum harmonic oscillator is the Schrödinger operator of a particle in a quadratic potential. It describes small vibrations around an equilibrium, the modes of the electromagnetic field, and phonons in a crystal. It is also one of the very few Schrödinger operators whose spectrum and eigenfunctions are known in closed form. The eigenvalues are equally spaced, and the eigenfunctions are Hermite functions. Its algebraic treatment by creation and annihilation operators goes back to Dirac (The Principles of Quantum Mechanics, 1930). That treatment became the template for second quantization and Fock space.
The same chapter of G. Teschl's Mathematical Methods in Quantum Mechanics (AMS Graduate Studies in Mathematics 99, 2009, Chapter 8, AMS page) contains two further results that use commutation relations. The first is the Heisenberg uncertainty principle (Heisenberg 1927; the general form for two observables is due to Robertson, Phys. Rev. 34 (1929)). The second is an abstract statement that and have the same spectrum away from . Physicists call this supersymmetric quantum mechanics, and Teschl uses it later for the hydrogen atom. This mission follows Teschl's Sections 8.1–8.4.
Setting
Let be a complex Hilbert space. A linear operator is a linear map defined on a subspace , its domain. is symmetric if is dense and for all . For a closed operator and , the resolvent exists when maps bijectively onto with a bounded inverse. The resolvent set is the set of such , and the spectrum is . An operator is essentially self-adjoint on its domain if its closure is self-adjoint.
For with (a state), the expectation is and the mean-square deviation is . The commutator is for , where .
Fix a frequency . On with Lebesgue measure, let
where and is the Euclidean norm. With and Teschl's units (, mass , so the free Hamiltonian is ), the harmonic oscillator is the operator
In one dimension the ladder operators on are
The Hermite polynomials are . The Hermite functions are
and on , .
Formalization targets
Goal: the harmonic oscillator (Theorem 8.5)
For every the operator above exists. It is essentially self-adjoint on , the functions , , form an orthonormal basis of consisting of eigenvectors of , and
Milestones
- Density (Lemma 8.3). is dense in for every .
- Canonical commutation relation (Eq. (8.36)). on .
- Factorization (Eq. (8.37)). On the same space, with , and the space is invariant under .
- Hermite functions (Eqs. (8.40)–(8.42)). with . Each is a normalized eigenfunction of for the eigenvalue , and .
- Heisenberg uncertainty principle (Theorem 8.2). For symmetric , and a state ,
with equality if for a real , or if is an eigenvector of or .
- Abstract commutation (Theorem 8.6). For closed and densely defined, and are unitarily equivalent. maps eigenvectors of (eigenvalue ) to eigenvectors of with . For ,
The last two milestones do not enter the goal. They are the chapter's other two theorems and use the same operator-theoretic layer.
Significance
Theorem 8.5 is the rigorous form of the most used exactly solvable model of quantum mechanics. Once it is available, the Hermite functions become an orthonormal basis of that diagonalizes a concrete differential operator. That basis underlies Mehler's formula and the Fourier transform's action (Eq. (8.46)). Perturbation arguments around the oscillator also start from it, and so does the construction of Fock space. The uncertainty principle is the basic quantitative constraint on simultaneous measurement. Theorem 8.6 gives an eigenvalue transfer mechanism that Teschl reuses to compute the hydrogen spectrum (Section 10.4).
Formally, the mission asks for a machine-checked proof about an unbounded differential operator on , stated on a concrete core. Mathlib has unbounded operators (LinearPMap, closure, adjoint), spaces, Gaussian integrals and the probabilists' Hermite polynomials. It has no statement identifying the spectrum of a concrete Schrödinger operator. These results are proved in every textbook, but none of them has been formalized in this form.
Difficulty
The algebra of Eqs. (8.36)–(8.41) is a finite computation with polynomials times a Gaussian. The work in the goal is analytic. Essential self-adjointness is a statement about the closure of an operator on a non-closed domain. Symmetry of together with a family of eigenvectors in does not give it by definition, and the relevant criterion for unbounded operators is not in Mathlib. Completeness of the eigenfunctions in is a density statement about a concrete function space (Lemma 8.3), and it has to be transferred from one dimension to three. The spectrum is asked for the closure , not for on : the eigenvalues are easy to exhibit, but showing that no other point of lies in requires control of on all of . Finally, the Rodrigues formula (8.42) and the ladder construction (8.40) define the same functions only after an identity for all derivatives of .
Formalization scope
is a complex inner product space with CompleteSpace; separability is not assumed, and no statement needs it. Operators are Mathlib LinearPMaps H →ₗ.[ℂ] H. is LinearPMap.adjoint, and every statement using it assumes a dense domain. Self-adjointness is Mathlib's IsSelfAdjoint, and essential self-adjointness is IsSelfAdjoint H.closure. and are defined in the mission for LinearPMaps (bounded two-sided inverse of ); Mathlib's Banach-algebra spectrum is not used. is Lp ℂ 2 volume on EuclideanSpace ℝ (Fin n). The Laplacian is the sum of second Fréchet derivatives along the unit vectors. Hermite polynomials are defined by the Rodrigues formula, not as Mathlib's probabilists' Polynomial.hermite. No projection-valued measure, functional calculus or Fourier transform is taken as data.
The oscillator is not defined as a construction. IsHarmonicOscillator ω H states that and that acts on a representative as . This determines uniquely, and the goal also asserts that such an exists. Trivializing formalization ruled out: defining as the diagonal operator would make the spectrum immediate. Here is the differential operator on , and its eigenvalues must be derived.
Two choices differ from the printed text. First, Teschl's (8.34) writes the domain with , but his (8.39)–(8.41) and the conclusion use . The mission uses , which equals (8.34) for . Lemma 8.3 is stated for (8.20)'s itself. Second, Theorem 8.6 prints "", and the mission states the intended . The uncertainty principle adds explicitly; the book assumes it through its definition of a state.
Reusable pieces are the product of LinearPMaps, spectrum and resolvent for unbounded operators, the Gauss–polynomial core and its density, and the Hermite-function API. Contributions of general lemmas are welcome, for example "an operator with an orthonormal eigenbasis in its domain is essentially self-adjoint" and the spectrum of such an operator.
Selected references
- G. Teschl, Mathematical Methods in Quantum Mechanics, With Applications to Schrödinger Operators, Graduate Studies in Mathematics 99, AMS, 2009. bookstore.ams.org/gsm-99
- H. P. Robertson, "The Uncertainty Principle", Physical Review 34 (1929), 163–164. doi:10.1103/PhysRev.34.163
- W. Heisenberg, "Über den anschaulichen Inhalt der quantentheoretischen Kinematik und Mechanik", Zeitschrift für Physik 43 (1927), 172–198. doi:10.1007/BF01397280