Von Neumann's Criterion for Self-Adjoint Extensions
This appendix proves Theorem 16.80 of Hilbert Spaces: a closed symmetric operator is self-adjoint exactly when both deficiency indices vanish; it admits self-adjoint extensions exactly when the two indices are equal; and the extensions are then in bijective correspondence with the unitary maps from one deficiency subspace to the other. The proof is von Neumann's [vonNeumann:1930], through the Cayley transform, which converts a closed symmetric operator into an isometry between closed subspaces and a self-adjoint operator into a unitary — so that the extension problem for operators becomes the extension problem for isometries, where it is a matter of counting dimensions. The two examples the criterion was made for, momentum on an interval and momentum on a half-line, are recovered in The two worked cases as corollaries, with the one-parameter family of boundary conditions Equation (16.55) produced explicitly from the unitary parameter.
Throughout, \(A\) is a densely defined closed symmetric operator (Definitions 16.70 and 16.72) and \(\mu>0\) is a fixed number carrying the same SI dimension as \(A\), so that \(A\pm\ii\mu\) is dimensionally consistent, as in Definition 16.79; for the momentum operator of The two worked cases, \(\mu\) is a momentum in \(\mathrm{kg}\,\mathrm{m}/\mathrm{s}\). The deficiency subspaces and indices are those of Equation (16.53),
where \(\dim\) means the cardinality of an orthonormal basis.
Statement
Let \(A\) be a closed symmetric operator with deficiency indices \((n_{+},n_{-})\). Then
-
\(A\) is self-adjoint if and only if \(n_{+}=n_{-}=0\);
-
the self-adjoint extensions of \(A\) are in bijective correspondence with the unitary maps \(W\!:K_{+}\longrightarrow K_{-}\), the extension \(A_{W}\) attached to \(W\) being
\begin{equation}\tag{A26.2} D(A_{W})=D(A)\oplus\set{k-Wk\mid k\in K_{+}}\ec\qquad A_{W}\bigl(x+k-Wk\bigr)=Ax+\ii\mu\left(k+Wk\right)\ec \end{equation}the sum of subspaces being direct; such maps exist if and only if \(n_{+}=n_{-}\), and when \(n_{+}=n_{-}=n<\infty\) they form a family parametrised by \(\U(n)\);
-
if \(n_{+}\neq n_{-}\) there is no self-adjoint extension.
The basic identity
For every \(x\in D(A)\),
so \(A\pm\ii\mu\) is injective with \(\norm{(A\pm\ii\mu)x}\geq\mu\norm{x}\), and \(\norm{(A+\ii\mu)x}=\norm{(A-\ii\mu)x}\). If \(A\) is closed, the subspaces \(\im(A\pm\ii\mu)\) are closed, so that
Rests on Definition 16.72, Definition 16.79 and Theorem 16.18.
Derives Lemma A26.2. Expanding and using \(\braket{Ax}{x}=\braket{x}{Ax}\), which is symmetry, the two cross terms cancel:
the sign of the third term coming from the antilinearity Equation (9.36) of the first slot. Both consequences are immediate. For closedness of the image, let \((A+\ii\mu)x_{n}\longrightarrow u\). Applying Equation (A26.3) to differences shows that both \((x_{n})\) and \((Ax_{n})\) are Cauchy, hence convergent, say \(x_{n}\longrightarrow x\) and \(Ax_{n}\longrightarrow y\); since \(A\) is closed, \(x\in D(A)\) and \(Ax=y\), so \(u=(A+\ii\mu)x\) lies in the image. Equation (A26.4) is then the projection theorem Theorem 16.18 together with Equation (A26.1).
∎For a closed symmetric \(A\) the numbers \(n_{\pm}\) are the same for every \(\mu>0\). Rests on Lemma A26.2 and Definition 16.79.
Derives Lemma A26.3. Write \(K_{+}(\mu)=\ker(A^{\dagger}-\ii\mu)\) and suppose \(\dim K_{+}(\nu)<\dim K_{+}(\mu)\) for two positive \(\mu,\nu\) of the same dimension. Then there is a non-zero \(u\in K_{+}(\mu)\cap K_{+}(\nu)^{\perp}\): otherwise the orthogonal projection onto \(K_{+}(\nu)\) would be injective on \(K_{+}(\mu)\), and its adjoint — the projection onto \(K_{+}(\mu)\) restricted to \(K_{+}(\nu)\) — would have dense range in \(K_{+}(\mu)\), forcing \(\dim K_{+}(\mu)\leq\dim K_{+}(\nu)\).
By Equations (A26.1) and (A26.4), \(K_{+}(\nu)^{\perp}=\im(A+\ii\nu)\), so \(u=(A+\ii\nu)x\) for some \(x\in D(A)\); and \(A^{\dagger}u=\ii\mu u\). Hence, using Equation (16.50) and Equation (9.36),
But Equation (A26.3) gives \(\norm{u}\geq\nu\norm{x}\), so \(\abs{\braket{u}{x}}\leq\norm{u}\norm{x}\leq\norm{u}^{2}/\nu\) by Equation (16.1), and Equation (A26.5) forces \(\norm{u}^{2}\leq\abs{\nu-\mu}\,\norm{u}^{2}/\nu\), i.e.\ \(\abs{\nu-\mu}\geq\nu\). So whenever \(\abs{\nu-\mu}<\nu\) no such \(u\) exists and \(\dim K_{+}(\mu)\leq\dim K_{+}(\nu)\); exchanging the roles of \(\mu\) and \(\nu\), the two dimensions are equal whenever \(\abs{\nu-\mu}<\min(\mu,\nu)\). The function \(\mu\longmapsto n_{+}(\mu)\) is therefore locally constant on the connected set \((0,\infty)\), hence constant (Theorem 10.14). The argument for \(K_{-}\) is the same with \(\ii\) replaced by \(-\ii\).
∎The Cayley transform
The Cayley transform of a closed symmetric operator \(A\) is the map
Rests on Lemma A26.2 and Definition 16.79.
\(V_{A}\) is a well-defined linear isometry of the closed subspace \(K_{+}^{\perp}=\im(A+\ii\mu)\) onto the closed subspace \(K_{-}^{\perp}=\im(A-\ii\mu)\). Moreover \(\identity-V_{A}\) is injective on \(K_{+}^{\perp}\), its image is \(D(A)\) up to the factor \(2\ii\mu\),
and consequently \(A\) is recovered from \(V_{A}\) by
Rests on Definition A26.4 and Lemma A26.2.
Derives Proposition A26.5. \(A+\ii\mu\) is injective on \(D(A)\) (Lemma A26.2), so every \(u\in\im(A+\ii\mu)\) is \((A+\ii\mu)x\) for exactly one \(x\) and Equation (A26.6) defines \(V_{A}u\) unambiguously; linearity is inherited from that of \(A\). Isometry is the second consequence in Lemma A26.2, \(\norm{V_{A}u}=\norm{(A-\ii\mu)x}=\norm{(A+\ii\mu)x}=\norm{u}\), and the image is \(\im(A-\ii\mu)\) by construction. Both subspaces are closed and are the orthogonal complements of \(K_{\pm}\), by Equation (A26.4).
The two identities Equation (A26.7) are immediate: \((A+\ii\mu)x-(A-\ii\mu)x=2\ii\mu x\) and \((A+\ii\mu)x+(A-\ii\mu)x=2Ax\). The first shows that \((\identity-V_{A})u=0\) forces \(x=0\), hence \(u=0\): injectivity; that \(\im(\identity-V_{A})=D(A)\), since \(x\) runs over \(D(A)\) as \(u\) runs over \(K_{+}^{\perp}\); and, dividing the second identity by the first, Equation (A26.8).
∎From an isometry back to an operator
Let \(V\) be an isometry of a closed subspace of \(\mathcal{H}\) into \(\mathcal{H}\) extending \(V_{A}\). Then \(\ker(\identity-V)=\set{0}\). Rests on Proposition A26.5 and Definition 16.72.
Derives Lemma A26.6. An isometry preserves inner products, by the polarization identity Equation (16.3) applied on its domain. Let \(Vz=z\) and let \(u\in K_{+}^{\perp}\) be arbitrary. Then
using \(Vz=z\) in the third step. By Equation (A26.7), \((\identity-V)u=(\identity-V_{A})u\) ranges over \(2\ii\mu\,D(A)\), which is dense because \(A\) is densely defined. Hence \(z\perp\mathcal{H}\) and \(z=0\).
∎Let \(V\) be an isometry of a closed subspace \(D(V)\) onto a closed subspace, with \(\ker(\identity-V)=\set{0}\) and \(\im(\identity-V)\) dense. Then
defines a densely defined symmetric operator \(B\) whose Cayley transform is \(V\). If \(V\) extends \(V_{A}\) then \(B\) extends \(A\). Rests on Proposition A26.5, Lemma A26.6 and Definition 16.72.
Derives Lemma A26.7. \(B\) is well defined and single valued because \(\identity-V\) is injective, and linear because \(V\) is; its domain is dense by hypothesis.
Symmetry. Let \(z,z'\in D(V)\) and put \(x=(\identity-V)z\), \(y=(\identity-V)z'\), so \(Bx=\ii\mu(\identity+V)z\) and \(By=\ii\mu(\identity+V)z'\). Using \(\braket{Vz}{Vz'}=\braket{z}{z'}\) and the antilinearity of the first slot, which turns the prefactor \(\ii\mu\) into \(-\ii\mu\),
while, the prefactor now sitting in the second slot,
So \(\braket{Bx}{y}=\braket{x}{By}\) for all \(x,y\in D(B)\).
Its Cayley transform is \(V\). From Equation (A26.9),
so \(\im(B+\ii\mu)=D(V)\), \(\im(B-\ii\mu)=\im V\), and \(V_{B}\) sends \(2\ii\mu z\) to \(2\ii\mu Vz\): that is, \(V_{B}=V\).
Extension. If \(V\supseteq V_{A}\) then, by Equation (A26.7), \(D(B)=\im(\identity-V)\supseteq \im(\identity-V_{A})=D(A)\), and on \(D(A)\) the prescription Equation (A26.9) is Equation (A26.7) itself, so \(B\) agrees with \(A\) there.
∎A closed symmetric operator \(A\) is self-adjoint if and only if its Cayley transform is unitary on all of \(\mathcal{H}\), that is, if and only if \(n_{+}=n_{-}=0\). Rests on Proposition A26.5, Lemma A26.2 and Definition 16.72.
Derives Proposition A26.8. Suppose \(A=A^{\dagger}\). Then \(K_{\pm}=\ker(A^{\dagger}\mp\ii\mu)=\ker(A\mp\ii\mu)=\set{0}\) by Equation (A26.3), so \(n_{\pm}=0\) and, by Equation (A26.4), \(V_{A}\) is an isometry of \(\mathcal{H}\) onto \(\mathcal{H}\): unitary.
Conversely suppose \(n_{+}=n_{-}=0\), i.e.\ \(\im(A\pm\ii\mu)=\mathcal{H}\). Let \(y\in D(A^{\dagger})\). There is \(x\in D(A)\) with \((A-\ii\mu)x=(A^{\dagger}-\ii\mu)y\), and since \(A\subseteq A^{\dagger}\) this reads \((A^{\dagger}-\ii\mu)(y-x)=0\), i.e. \(y-x\in K_{+}=\set{0}\). Hence \(y=x\in D(A)\), so \(D(A^{\dagger})=D(A)\) and \(A\) is self-adjoint. This is part (1) of Theorem A26.1.
∎Proof of the criterion
Proof of Theorem A26.1, parts (2) and (3). Derives Theorem A26.1. From an extension to a unitary. Let \(B\supseteq A\) be self-adjoint. By Proposition A26.8 its Cayley transform \(V_{B}\) is unitary on \(\mathcal{H}\), and it extends \(V_{A}\): indeed \(\im(A+\ii\mu)\subseteq\im(B+\ii\mu)\) and, on that subspace, \(V_{B}(A+\ii\mu)x=(B-\ii\mu)x=(A-\ii\mu)x\). A unitary carrying the closed subspace \(K_{+}^{\perp}\) onto \(K_{-}^{\perp}\) carries the orthogonal complement onto the orthogonal complement, so \(W=V_{B}|_{K_{+}}\) is a unitary map \(K_{+}\longrightarrow K_{-}\).
From a unitary to an extension. Conversely let \(W\!:K_{+}\longrightarrow K_{-}\) be unitary and define, using the decompositions Equation (A26.4),
Both summands on the right are orthogonal — \(V_{A}u\in K_{-}^{\perp}\) and \(Wk\in K_{-}\) — so \(\norm{V_{W}(u+k)}^{2} =\norm{u}^{2}+\norm{k}^{2}\) and \(V_{W}\) is an isometry of \(\mathcal{H}\); its image is \(K_{-}^{\perp}\oplus K_{-}=\mathcal{H}\), so \(V_{W}\) is unitary. By Lemma A26.6, \(\identity-V_{W}\) is injective, and its image is dense because
where the middle equality holds because for a unitary \(V_{W}\) the relations \(V_{W}z=z\) and \(V_{W}^{\dagger}z=z\) are equivalent. So Lemma A26.7 applies: it produces a densely defined symmetric \(A_{W}\supseteq A\) whose Cayley transform is the unitary \(V_{W}\), and \(A_{W}\) is therefore self-adjoint by Proposition A26.8.
The formula Equation (A26.2). Write \(z=u+k\) with \(u=(A+\ii\mu)x\), \(x\in D(A)\). Then, by Equations (A26.7) and (A26.12),
so, dividing by \(2\ii\mu\) and renaming \(k/(2\ii\mu)\) as \(k\) — which is a bijection of the subspace \(K_{+}\), and \(W\) is linear — Equation (A26.9) becomes exactly Equation (A26.2). The sum there is direct: if \(x+k-Wk=0\) then applying \(\identity-V_{W}\) backwards, i.e. using injectivity on \(2\ii\mu x=(\identity-V_{W})u\) and \(k-Wk=(\identity-V_{W})k\), gives \(u+k=0\) with \(u\perp k\), hence \(u=k=0\).
The correspondence is bijective. The two constructions are inverse to each other: from \(A_{W}\) one recovers \(V_{A_{W}}=V_{W}\) (Lemma A26.7) and hence \(W=V_{W}|_{K_{+}}\); and from a self-adjoint \(B\supseteq A\) one gets \(W=V_{B}|_{K_{+}}\), whose associated operator has Cayley transform \(V_{B}\) and therefore equals \(B\), since \(B\) is determined by \(V_{B}\) through Equation (A26.8).
Counting. A unitary map \(K_{+}\longrightarrow K_{-}\) exists if and only if the two spaces have orthonormal bases of the same cardinality — given such bases, the induced map is unitary; conversely a unitary carries a basis to a basis — that is, if and only if \(n_{+}=n_{-}\). If \(n_{+}\neq n_{-}\) there is none, and by the first paragraph a self-adjoint extension would produce one: this is part (3). When \(n_{+}=n_{-}=n<\infty\), fixing orthonormal bases of \(K_{\pm}\) identifies the unitary maps with the matrix group \(\U(n)\), a transitive and free action of \(\U(n)\) on the set of extensions.
∎The two worked cases
Both examples of Hilbert Spaces use the same differential expression \(P=-\ii\hbar\,\dd/\dd x\) of Equation (16.54), and both use the boundary form Equation (16.57), which for absolutely continuous \(\varphi,\psi\) with \(\varphi',\psi'\in L^{2}\) reads
an integration by parts legitimate for absolutely continuous functions (Theorem 11.43); on \([0,\infty)\) the term at \(L\) is replaced by a limit at infinity, which vanishes for \(L^{2}\) functions with \(L^{2}\) derivative. As Hilbert Spaces records, \(P^{\dagger}\) is the same differential expression on the maximal domain — absolutely continuous \(\psi\) with \(\psi'\in\mathcal{H}\) and no boundary condition [Reed:1972].
Let \(\mathcal{H}=L^{2}([0,L])\) and let \(P\) be Equation (16.54) on the domain \(D_{0}\) of continuously differentiable functions vanishing at both endpoints. Then \(n_{+}=n_{-}=1\); every \(P_{\theta}\) of Equation (16.55) is self-adjoint; these are all the self-adjoint extensions; and the unitary parameter \(W k_{+}=\ee^{\ii\alpha}k_{-}\) of Theorem A26.1 corresponds to the boundary phase
a bijection of the circle onto the circle. Rests on Theorem A26.1, Example 16.81 and Equation (16.55).
Derives Corollary A26.9. Indices. This is the computation of Example 16.81: the equations \(P^{\dagger}\psi=\pm\ii\mu\psi\) have the one-dimensional solution spaces spanned by
both square integrable on the compact interval, so \(n_{+}=n_{-}=1\) and Theorem A26.1 gives a family of extensions parametrised by \(\U(1)\). Normalising, \(N_{+}^{-2}=\int_{0}^{L}\ee^{-2\mu x/\hbar}\dd x =\bigl(\hbar/2\mu\bigr)\left(1-q^{2}\right)\) and \(N_{-}^{-2}=\bigl(\hbar/2\mu\bigr)\left(q^{-2}-1\right)\), whence
Each \(P_{\theta}\) is self-adjoint. Symmetry on \(D_{\theta}\) is Equation (A26.13): for \(\varphi,\psi\in D_{\theta}\), \(\varphi(L)^{\ast}\psi(L) =\ee^{-\ii\theta}\ee^{\ii\theta}\varphi(0)^{\ast}\psi(0) =\varphi(0)^{\ast}\psi(0)\) and the right-hand side vanishes. For the converse inclusion let \(y\in D(P_{\theta}^{\dagger})\). Since \(D_{0}\subseteq D_{\theta}\), \(y\) belongs to the maximal domain \(D(P^{\dagger})\) and \(P_{\theta}^{\dagger}y=P^{\dagger}y\); so Equation (A26.13) with \(\varphi=y\) must vanish for every \(\psi\in D_{\theta}\):
Choosing \(\psi(x)=1+(\ee^{\ii\theta}-1)x/L\), which lies in \(D_{\theta}\) and has \(\psi(0)=1\), gives \(y(L)^{\ast}\ee^{\ii\theta}=y(0)^{\ast}\), i.e.\ \(y(L)=\ee^{\ii\theta}y(0)\) and \(y\in D_{\theta}\). Hence \(D(P_{\theta}^{\dagger})=D_{\theta}\) and \(P_{\theta}\) is self-adjoint.
There are no others. Let \(B\) be a self-adjoint extension of \(P\). Then \(P\subseteq B=B^{\dagger}\subseteq P^{\dagger}\), so \(D(B)\) lies in the maximal domain and Equation (A26.13) vanishes on \(D(B)\times D(B)\). Taking \(\varphi=\psi\) gives \(\abs{\psi(L)}^{2}=\abs{\psi(0)}^{2}\) for every \(\psi\in D(B)\): the image \(S\subseteq\C^{2}\) of the boundary map \(\psi\longmapsto(\psi(0),\psi(L))\) is a subspace isotropic for the hermitian form \(\abs{b}^{2}-\abs{a}^{2}\), which has signature \((1,1)\), so \(\dim S\leq1\). If \(\dim S=1\), say \(S=\C\,(1,\ee^{\ii\theta})\), then \(D(B)\subseteq D_{\theta}\), i.e. \(B\subseteq P_{\theta}\); taking adjoints reverses the inclusion, so \(P_{\theta}=P_{\theta}^{\dagger}\subseteq B^{\dagger}=B\) and \(B=P_{\theta}\). If \(S=\set{0}\) then \(D(B)\) is contained in \(D_{\theta}\) for every \(\theta\), so \(B\subseteq P_{\theta}\) and the same argument gives \(B=P_{\theta}\) — contradicting \(S=\set{0}\), since the domain of \(P_{\theta}\) contains \(\psi(x) =1+(\ee^{\ii\theta}-1)x/L\), whose boundary values are not both zero. So every self-adjoint extension is one of the \(P_{\theta}\).
Matching the parameters. Let \(W k_{+}=\ee^{\ii\alpha}k_{-}\) and let \(A\) be the closure of \(P\), a closed symmetric operator with the same adjoint and the same deficiency subspaces — the defining condition Equation (16.50) for \(A^{\dagger}\) extends from \(D_{0}\) to its graph closure by continuity of the inner product. By Equation (A26.2), every element of \(D(A_{W})\) is \(\psi=\psi_{0}+c\left(k_{+}-\ee^{\ii\alpha}k_{-}\right)\) with \(\psi_{0}\in D(A)\) and \(c\in\C\). Every \(\psi_{0}\in D(A)\) vanishes at both endpoints: if \(\psi_{n}\in D_{0}\) converges to \(\psi_{0}\) in the graph norm then, for absolutely continuous \(\phi\) on \([0,L]\),
— average \(\phi(x)=\phi(y)+\int_{y}^{x}\phi'\) over \(y\) and use Equation (16.1) — so graph convergence implies uniform convergence and \(\psi_{0}(0)=\lim\psi_{n}(0)=0\), likewise at \(L\). Therefore the boundary values of \(\psi\) come from the second term alone: by Equations (A26.15) and (A26.16),
using \(k_{+}(L)=N_{+}q\) and \(k_{-}(L)=N_{-}q^{-1}=N_{+}\). The denominator \(1-\ee^{\ii\alpha}q\) never vanishes because \(q<1\), and
so the ratio \(\psi(L)/\psi(0)\) is a phase, which is Equation (A26.14). Hence \(D(A_{W})\subseteq D_{\theta}\) with that \(\theta\), and since both operators are self-adjoint, \(A_{W}=P_{\theta}\) by the adjoint argument used above. Finally \(z\longmapsto(q-z)/(1-qz)\) is a Möbius transformation with \(\abs{q}<1\); Equation (A26.18) shows it maps the unit circle into itself, and it is injective, so it is a bijection of the circle: as \(\alpha\) runs once around, so does \(\theta\), and the \(\U(1)\) of Theorem A26.1 is exactly the circle of boundary conditions Equation (16.55).
∎Let \(\mathcal{H}=L^{2}([0,\infty))\) and let \(P\) be Equation (16.54) on the continuously differentiable functions of compact support in \((0,\infty)\). Then \((n_{+},n_{-})=(1,0)\) and \(P\) has no self-adjoint extension. Rests on Theorem A26.1 and Example 16.82.
Derives Corollary A26.10. The solutions of \(P^{\dagger}\psi=\pm\ii\mu\psi\) are again \(\psi(x)=C\ee^{\mp\mu x/\hbar}\); on the half-line the decaying one is square integrable, with \(\norm{\psi}^{2} =\abs{C}^{2}\hbar/(2\mu)\), and the growing one is not, so \(n_{+}=1\) and \(n_{-}=0\) (Example 16.82). By part (3) of Theorem A26.1 — there is no unitary map from a one-dimensional space onto \(\set{0}\) — there is no self-adjoint extension. By Proposition A25.11 there is therefore no strongly continuous unitary group whose generator is a momentum on the half-line, which is the statement that probability cannot be conserved under translations that push it off the end of the half-line (Remark 16.83).
∎The criterion itself — Lemma A26.2 through Theorem A26.1 — quotes nothing: every step is carried out from the definitions of Section 16.5 and the projection theorem. Two facts are imported in the worked cases of The two worked cases, both of them classical real analysis rather than operator theory. First, that the adjoint of \(P\) on either interval is the same differential expression on the maximal domain of absolutely continuous functions with square-integrable derivative; this is stated without proof in Example 16.81 as well, with the reference [Reed:1972], and identifying it requires the du Bois-Reymond lemma on weak derivatives. Second, that integration by parts Equation (A26.13) is valid for absolutely continuous functions, which is Theorem 11.43 applied to the product. Neither is needed for Theorem A26.1.
Von Neumann's Criterion for Self-Adjoint Extensions discharges the proof obligation of Theorem 16.80 (Section 16.5.2), and with Corollaries A26.9 and A26.10 it completes the two examples that section is built around — in particular the assertion of Example 16.81 that \(D_{\theta}\) exhausts the possibilities, which is proved above by the isotropic-subspace count and not merely asserted. Read with Stone's Theorem on One-Parameter Unitary Groups, the criterion is the precise statement of what Remark 16.77 calls the physics of a domain: the deficiency indices decide whether a symmetric differential expression admits a unitary dynamics at all, and when they are equal and non-zero it is the boundary condition — the ring, or the ring threaded by a flux — that selects one, the mathematics offering the whole \(\U(n)\) and choosing nothing.