\langle ⋅ , ⋅ \rangle
Self-adjoint operators are used in functional analysis and quantum mechanics. In quantum mechanics their importance lies in the Dirac–von Neumann formulation of quantum mechanics, in which physical observables such as position, momentum, angular momentum and spin are represented by self-adjoint operators on a Hilbert space. Of particular significance is the Hamiltonian operator
\hat{H}
\hat{H}\psi=-
\hbar2 | |
2m |
\nabla2\psi+V\psi,
which as an observable corresponds to the total energy of a particle of mass m in a real potential field V. Differential operators are an important class of unbounded operators.
The structure of self-adjoint operators on infinite-dimensional Hilbert spaces essentially resembles the finite-dimensional case. That is to say, operators are self-adjoint if and only if they are unitarily equivalent to real-valued multiplication operators. With suitable modifications, this result can be extended to possibly unbounded operators on infinite-dimensional spaces. Since an everywhere-defined self-adjoint operator is necessarily bounded, one needs to be more attentive to the domain issue in the unbounded case. This is explained below in more detail.
Let
H
A
\operatorname{Dom}A\subseteqH.
H
\operatorname{Dom}A=H
The graph of an (arbitrary) operator
A
G(A)=\{(x,Ax)\midx\in\operatorname{Dom}A\}.
B
A
G(A)\subseteqG(B).
A\subseteqB.
Let the inner product
\langle ⋅ , ⋅ \rangle
A*
\operatorname{Dom}A*\subseteqH
y
\langleAx,y\rangle=\langlex,A*y\rangle, \forallx\in\operatorname{Dom}A.
The densely defined operator
A
A\subseteqA*
\operatorname{Dom}A\subseteq\operatorname{Dom}A*
Ax=A*x
x\in\operatorname{Dom}A
A
\langleAx,y\rangle=\langx,Ay\rangle, \forallx,y\in\operatorname{Dom}A.
\operatorname{Dom}A*\supseteq\operatorname{Dom}A
H
G(A)
A*
A
A**
A
A*
A\subseteqA**\subseteqA*
A=A**\subseteqA*
The densely defined operator
A
A=A*
A
\operatorname{Dom}A=\operatorname{Dom}A*
A
A*
A
\left\langlex,Ax\right\rangle
x\inH
\langlex,Ax\rangle=\overline{\langleAx,x\rangle}=\overline{\langlex,Ax\rangle}\inR, \forallx\inH.
A symmetric operator
A
A
A
In physics, the term Hermitian refers to symmetric as well as self-adjoint operators alike. The subtle difference between the two is generally overlooked.
Let
H
A:\operatorname{Dom}(A)\toH
\operatorname{Dom}(A)=H
A
A:H\toH
\langleAx,y\rangle=\langlex,Ay\rangle, \forallx,y\inH.
T:H\toH
T=A+iB
A:H\toH
B:H\toH
A:H\toH
H
A bounded self-adjoint operator
A:H\toH
\operatorname{Dom}\left(A\right)=H
A:H\to\operatorname{Im}A\subseteqH
A
H.
\left\|A\right\|=\sup\left\{|\langlex,Ax\rangle|:x\inH,\|x\|\leq1\right\}
A
λ
A
|λ|\leq\|A\|
|λ|=\|A\|
\|x\|=1
A
See also: Spectrum (functional analysis). Let
A:\operatorname{Dom}(A)\toH
A
\rho(A)=\left\{λ\inC:\exist(A-λI)-1 boundedanddenselydefined\right\}.
A
A-λI
H
A
\sigma(A)=\Complex\setminus\rho(A).
\sigma(A)\subseteqC
\sigma(A)\subseteqR
As a preliminary, define
S=\{x\in\operatorname{Dom}A\mid\Vertx\Vert=1\},
stylem=infx\in\langleAx,x\rangle
styleM=\supx\in\langleAx,x\rangle
m,M\inR\cup\{\pminfty\}
λ\in\Complex
x\in\operatorname{Dom}A,
\Vert(A-λ)x\Vert\geqd(λ) ⋅ \Vertx\Vert,
styled(λ)=infr\in|r-λ|.
Indeed, let
x\in\operatorname{Dom}A\setminus\{0\}.
\Vert(A-λ)x\Vert\geq
|\langle(A-λ)x,x\rangle| | |
\Vertx\Vert |
=\left|\left\langleA
x | , | |
\Vertx\Vert |
x | |
\Vertx\Vert |
\right\rangle-λ\right| ⋅ \Vertx\Vert\geqd(λ) ⋅ \Vertx\Vert.
If
λ\notin[m,M],
d(λ)>0,
A-λI
See main article: Spectral theorem.
In the physics literature, the spectral theorem is often stated by saying that a self-adjoint operator has an orthonormal basis of eigenvectors. Physicists are well aware, however, of the phenomenon of "continuous spectrum"; thus, when they speak of an "orthonormal basis" they mean either an orthonormal basis in the classic sense or some continuous analog thereof. In the case of the momentum operator , for example, physicists would say that the eigenvectors are the functions
fp(x):=eipx
L2(R)
L2(R)
\deltai,j
\delta\left(p-p'\right)
Although these statements may seem disconcerting to mathematicians, they can be made rigorous by use of the Fourier transform, which allows a general
L2
eipx
L2
p
p
The spectral theorem in general can be expressed similarly as the possibility of "diagonalizing" an operator by showing it is unitarily equivalent to a multiplication operator. Other versions of the spectral theorem are similarly intended to capture the idea that a self-adjoint operator can have "eigenvectors" that are not actually in the Hilbert space in question.
Firstly, let
(X,\Sigma,\mu)
h:X\toR
X
Th:\operatorname{Dom}Th\toL2(X,\mu)
Th\psi(x)=h(x)\psi(x), \forall\psi\in\operatorname{Dom}Th,
\operatorname{Dom}Th:=\left\{\psi\inL2(X,\mu) | h\psi\inL2(X,\mu)\right\},
Secondly, two operators
A
B
\operatorname{Dom}A\subseteqH1
\operatorname{Dom}B\subseteqH2
H1
H2
U:H1\toH2
U\operatorname{Dom}A=\operatorname{Dom}B,
UAU-1\xi=B\xi, \forall\xi\in\operatorname{Dom}B.
A
B
\|A\| | |
H1 |
=\|B\| | |
H2 |
A
B
The spectral theorem holds for both bounded and unbounded self-adjoint operators. Proof of the latter follows by reduction to the spectral theorem for unitary operators.[3] We might note that if
T
h
T
h
More complete versions of the spectral theorem exist as well that involve direct integrals and carry with it the notion of "generalized eigenvectors".
One application of the spectral theorem is to define a functional calculus. That is, if
f
T
f(T)
T
h
f(T)
f\circh
One example from quantum mechanics is the case where
T
\hat{H}
\hat{H}
ej
λj
f(\hat{H}):=e-it\hat{H/\hbar}
f(λj):=
-itλj/\hbar | |
e |
f(\hat{H})ej=f(λj)ej.
The goal of functional calculus is to extend this idea to the case where
T
T
It has been customary to introduce the following notation
\operatorname{E}(λ)=1(-infty,(T)
where
1(-infty,
(-infty,λ]
T=
+infty | |
\int | |
-infty |
λd\operatorname{E}(λ).
In quantum mechanics, Dirac notation is used as combined expression for both the spectral theorem and the Borel functional calculus. That is, if H is self-adjoint and f is a Borel function,
f(H)=\intdE\left|\PsiE\ranglef(E)\langle\PsiE\right|
with
H\left|\PsiE\right\rangle=E\left|\PsiE\right\rangle
where the integral runs over the whole spectrum of H. The notation suggests that H is diagonalized by the eigenvectors ΨE. Such a notation is purely formal. The resolution of the identity (sometimes called projection-valued measures) formally resembles the rank-1 projections
\left|\PsiE\right\rangle\left\langle\PsiE\right|
|\Psi\rangle
|\Psi\rangle
If, the theorem is referred to as resolution of unity:
I=\intdE\left|\PsiE\right\rangle\left\langle\PsiE\right|
In the case
Heff=H-i\Gamma
-i\Gamma
* | |
H | |
eff |
*\right\rangle | |
\left|\Psi | |
E |
=E*
*\right\rangle | |
\left|\Psi | |
E |
and write the spectral theorem as:
f\left(Heff\right)=\intdE\left|\PsiE\right\ranglef(E)
*\right| | |
\left\langle\Psi | |
E |
(See Feshbach–Fano partitioning method for the context where such operators appear in scattering theory).
The spectral theorem applies only to self-adjoint operators, and not in general to symmetric operators. Nevertheless, we can at this point give a simple example of a symmetric (specifically, an essentially self-adjoint) operator that has an orthonormal basis of eigenvectors. Consider the complex Hilbert space L2[0,1] and the differential operator
A=-
d2 | |
dx2 |
with
Dom(A)
f(0)=f(1)=0.
Then integration by parts of the inner product shows that A is symmetric.[4] The eigenfunctions of A are the sinusoids
fn(x)=\sin(n\pix) n=1,2,\ldots
with the real eigenvalues n2π2; the well-known orthogonality of the sine functions follows as a consequence of A being symmetric.
The operator A can be seen to have a compact inverse, meaning that the corresponding differential equation Af = g is solved by some integral (and therefore compact) operator G. The compact symmetric operator G then has a countable family of eigenvectors which are complete in . The same can then be said for A.
Self-adjoint operator should not be confused with Discrete spectrum (mathematics).
A self-adjoint operator A on H has pure point spectrum if and only if H has an orthonormal basis i ∈ I consisting of eigenvectors for A.
Example. The Hamiltonian for the harmonic oscillator has a quadratic potential V, that is
-\Delta+|x|2.
This Hamiltonian has pure point spectrum; this is typical for bound state Hamiltonians in quantum mechanics. As was pointed out in a previous example, a sufficient condition that an unbounded symmetric operator has eigenvectors which form a Hilbert space basis is that it has a compact inverse.
See also: Extensions of symmetric operators.
Although the distinction between a symmetric operator and a (essentially) self-adjoint operator is subtle, it is important since self-adjointness is the hypothesis in the spectral theorem. Here we discuss some concrete examples of the distinction.
In the case where the Hilbert space is a space of functions on a bounded domain, these distinctions have to do with a familiar issue in quantum physics: One cannot define an operator—such as the momentum or Hamiltonian operator—on a bounded domain without specifying boundary conditions. In mathematical terms, choosing the boundary conditions amounts to choosing an appropriate domain for the operator. Consider, for example, the Hilbert space
L2([0,1])
Af=-i
df | |
dx |
.
We must now specify a domain for A, which amounts to choosing boundary conditions. If we choose
\operatorname{Dom}(A)=\left\{smoothfunctions\right\},
then A is not symmetric (because the boundary terms in the integration by parts do not vanish).
If we choose
\operatorname{Dom}(A)=\left\{smoothfunctionsf\midf(0)=f(1)=0\right\},
then using integration by parts, one can easily verify that A is symmetric. This operator is not essentially self-adjoint,[5] however, basically because we have specified too many boundary conditions on the domain of A, which makes the domain of the adjoint too big (see also the example below).
Specifically, with the above choice of domain for A, the domain of the closure
Acl
\operatorname{Dom}\left(Acl\right)=\left\{functionsfwithtwoderivativesinL2\midf(0)=f(1)=0\right\},
whereas the domain of the adjoint
A*
\operatorname{Dom}\left(A*\right)=\left\{functionsfwithtwoderivativesinL2\right\}.
That is to say, the domain of the closure has the same boundary conditions as the domain of A itself, just a less stringent smoothness assumption. Meanwhile, since there are "too many" boundary conditions on A, there are "too few" (actually, none at all in this case) for
A*
\langleg,Af\rangle
f\in\operatorname{Dom}(A)
f
g
g
A*
A*g=-idg/dx
Since the domain of the closure and the domain of the adjoint do not agree, A is not essentially self-adjoint. After all, a general result says that the domain of the adjoint of
Acl
Acl
Acl
Acl
The problem with the preceding example is that we imposed too many boundary conditions on the domain of A. A better choice of domain would be to use periodic boundary conditions:
\operatorname{Dom}(A)=\{smoothfunctionsf\midf(0)=f(1)\}.
With this domain, A is essentially self-adjoint.[7]
In this case, we can understand the implications of the domain issues for the spectral theorem. If we use the first choice of domain (with no boundary conditions), all functions
f\beta(x)=e\beta
\beta\inC
-i\beta
fn(x):=e2\pi
D(A*)=D(A)
A more subtle example of the distinction between symmetric and (essentially) self-adjoint operators comes from Schrödinger operators in quantum mechanics. If the potential energy is singular—particularly if the potential is unbounded below—the associated Schrödinger operator may fail to be essentially self-adjoint. In one dimension, for example, the operator
\hat{H}:=
P2 | |
2m |
-X4
is not essentially self-adjoint on the space of smooth, rapidly decaying functions.[8] In this case, the failure of essential self-adjointness reflects a pathology in the underlying classical system: A classical particle with a
-x4
\hat{H}
In this case, if we initially define
\hat{H}
\operatorname{Dom}\left(\hat{H}*\right)=\left\{twicedifferentiablefunctionsf\inL2(R)\left|\left(-
\hbar2 | |
2m |
d2f | |
dx2 |
-x4f(x)\right)\inL2(R)\right.\right\}.
It is then possible to show that
\hat{H}*
\hat{H}
\hat{H}*
\hat{H}*
f
\hat{H}*
d2f/dx2
x4f(x)
L2(R)
\hat{H}*
L2(R)
\hat{H}*
d2/dx2
X4
-x4
x4
See also: Non-Hermitian quantum mechanics. In quantum mechanics, observables correspond to self-adjoint operators. By Stone's theorem on one-parameter unitary groups, self-adjoint operators are precisely the infinitesimal generators of unitary groups of time evolution operators. However, many physical problems are formulated as a time-evolution equation involving differential operators for which the Hamiltonian is only symmetric. In such cases, either the Hamiltonian is essentially self-adjoint, in which case the physical problem has unique solutions or one attempts to find self-adjoint extensions of the Hamiltonian corresponding to different types of boundary conditions or conditions at infinity.
Example. The one-dimensional Schrödinger operator with the potential
V(x)=-(1+|x|)\alpha
The failure of essential self-adjointness for
\alpha>2
V(x)
Example. There is no self-adjoint momentum operator
p
p2
We first consider the Hilbert space
L2[0,1]
D:\phi\mapsto
1 | |
i |
\phi'
defined on the space of continuously differentiable complex-valued functions on [0,1], satisfying the boundary conditions
\phi(0)=\phi(1)=0.
Then D is a symmetric operator as can be shown by integration by parts. The spaces N+, N− (defined below) are given respectively by the distributional solutions to the equation
\begin{align} -iu'&=iu\\ -iu'&=-iu \end{align}
which are in L2[0, 1]. One can show that each one of these solution spaces is 1-dimensional, generated by the functions x → e−x and x → ex respectively. This shows that D is not essentially self-adjoint,[12] but does have self-adjoint extensions. These self-adjoint extensions are parametrized by the space of unitary mappings N+ → N−, which in this case happens to be the unit circle T.
In this case, the failure of essential self-adjointenss is due to an "incorrect" choice of boundary conditions in the definition of the domain of
D
D
D
\phi(0)=\phi(1)
then D would still be symmetric and would now, in fact, be essentially self-adjoint. This change of boundary conditions gives one particular essentially self-adjoint extension of D. Other essentially self-adjoint extensions come from imposing boundary conditions of the form
\phi(1)=ei\theta\phi(0)
This simple example illustrates a general fact about self-adjoint extensions of symmetric differential operators P on an open set M. They are determined by the unitary maps between the eigenvalue spaces
N\pm=\left\{u\inL2(M):P\operatorname{dist}u=\pmiu\right\}
where Pdist is the distributional extension of P.
We next give the example of differential operators with constant coefficients. Let
P\left(\vec{x}\right)=\sum\alphac\alphax\alpha
be a polynomial on Rn with real coefficients, where α ranges over a (finite) set of multi-indices. Thus
\alpha=(\alpha1,\alpha2,\ldots,\alphan)
and
x\alpha=
\alpha1 | |
x | |
1 |
\alpha2 | |
x | |
2 |
…
\alphan | |
x | |
n |
.
We also use the notation
D\alpha=
1 | |
i|\alpha| |
\alpha1 | |
\partial | |
x1 |
\alpha2 | |
\partial | |
x2 |
…
\alphan | |
\partial | |
xn |
.
Then the operator P(D) defined on the space of infinitely differentiable functions of compact support on Rn by
P(\operatorname{D})\phi=\sum\alphac\alpha\operatorname{D}\alpha\phi
is essentially self-adjoint on L2(Rn).
More generally, consider linear differential operators acting on infinitely differentiable complex-valued functions of compact support. If M is an open subset of Rn
P\phi(x)=\sum\alphaa\alpha(x)\left[D\alpha\phi\right](x)
where aα are (not necessarily constant) infinitely differentiable functions. P is a linear operator
infty(M) | |
C | |
0 |
\to
infty(M). | |
C | |
0 |
Corresponding to P there is another differential operator, the formal adjoint of P
P*form\phi=\sum\alphaD\alpha\left(\overline{a\alpha}\phi\right)
The multiplication representation of a self-adjoint operator, though extremely useful, is not a canonical representation. This suggests that it is not easy to extract from this representation a criterion to determine when self-adjoint operators A and B are unitarily equivalent. The finest grained representation which we now discuss involves spectral multiplicity. This circle of results is called the Hahn–Hellinger theory of spectral multiplicity.
We first define uniform multiplicity:
Definition. A self-adjoint operator A has uniform multiplicity n where n is such that 1 ≤ n ≤ ω if and only if A is unitarily equivalent to the operator Mf of multiplication by the function f(λ) = λ on
2 | |
L | |
\mu\left(R, |
Hn\right)=\left\{\psi:R\toHn:\psimeasurableand\intR\|\psi(t)\|2d\mu(t)<infty\right\}
where Hn is a Hilbert space of dimension n. The domain of Mf consists of vector-valued functions ψ on R such that
\intR|λ|2 \|\psi(λ)\|2d\mu(λ)<infty.
Non-negative countably additive measures μ, ν are mutually singular if and only if they are supported on disjoint Borel sets.
This representation is unique in the following sense: For any two such representations of the same A, the corresponding measures are equivalent in the sense that they have the same sets of measure 0.
The spectral multiplicity theorem can be reformulated using the language of direct integrals of Hilbert spaces:
Unlike the multiplication-operator version of the spectral theorem, the direct-integral version is unique in the sense that the measure equivalence class of μ (or equivalently its sets of measure 0) is uniquely determined and the measurable function
λ\mapstodim(Hλ)
λ\mapsto\operatorname{dim}\left(Hλ\right)
We may now state the classification result for self-adjoint operators: Two self-adjoint operators are unitarily equivalent if and only if (1) their spectra agree as sets, (2) the measures appearing in their direct-integral representations have the same sets of measure zero, and (3) their spectral multiplicity functions agree almost everywhere with respect to the measure in the direct integral.[14]
The Laplacian on Rn is the operator
\Delta=
n | |
\sum | |
i=1 |
2. | |
\partial | |
xi |
As remarked above, the Laplacian is diagonalized by the Fourier transform. Actually it is more natural to consider the negative of the Laplacian −Δ since as an operator it is non-negative; (see elliptic operator).
\operatorname{Dom}(A)