A survey is given of the formal spectral theory of second order differential operators, typical results being presented in §1.18(i) through §1.18(viii). The various types of spectra and the corresponding eigenfunction expansions are illustrated by examples. These are based on the Liouville normal form of (1.13.29). A more precise mathematical discussion then follows in §1.18(ix).
A complex linear vector space
is called an inner product space if
an inner product
is defined
for all
with the properties:
(i)
is complex linear in
;
(ii)
;
(iii)
;
(iv) if
then
.
With norm defined by
becomes a normed linear vector space. If
then
is
normalized.
Two elements
and
in
are orthogonal if
. A (finite or countably infinite, generalizing the definition of (1.2.40)) set
is an orthonormal set if the
are normalized and
pairwise orthogonal.
An inner product space
is called a Hilbert space if every
Cauchy sequence
in
(i.e.,
)
converges in norm to some
, i.e.,
. For an orthonormal set
in a Hilbert space
Bessel’s inequality holds:
where
and
A Hilbert space
is separable if there is an (at most countably
infinite) orthonormal set
in
such that for every ![]()
where
is given by (1.18.3).
Such orthonormal sets are called complete.
By (1.18.4)
Conversely, if complex numbers
satisfy (1.18.5) then
there is a unique
such that (1.18.3) holds and
can be given by
where the infinite sum means convergence in norm,
The standard example of an (infinite dimensional)
separable Hilbert space is the space
with elements
such that
The inner product of
and
is
Every infinite dimensional separable Hilbert space
can be made isomorphic
to
by choosing a complete
orthonormal set
in
. Then an isomorphism is given by
General references for this subsection include Friedman (1990, pp. 4–6), Shilov (2013, pp. 249–256), Riesz and Sz.-Nagy (1990, Ch. 5, §82).
Let
or
or
or
be a (possibly infinite, or semi-infinite)
interval in
.
For a Lebesgue–Stieltjes measure
on
let
be the space of all Lebesgue–Stieltjes measurable complex-valued functions on
which are square integrable
with respect to
,
Functions
for which
are
identified with each other. The space
becomes a separable
Hilbert space with inner product
thus generalizing the inner product of (1.18.9).
When
is absolutely continuous, i.e.
, see §1.4(v), where the nonnegative weight function
is
Lebesgue measurable on
. In this section we will only consider the special case
, so
;
in which case
.
Assume that
is an orthonormal basis of
.
The formulas in §1.18(i) are then:


where the limit has to be understood in the sense of
convergence
in the mean:
Often circumstances allow rather stronger statements, such as
uniform convergence, or pointwise convergence at points
where
is continuous,
with convergence to
if
is an isolated point
of discontinuity.
We can rewrite (1.18.15), together with (1.18.13), formally as
where the integral kernel is given by
Thus, in the notation of §1.17, we have an expansion
of the Dirac delta distribution. Equation (1.18.19) is often called the completeness relation. The analogous orthonormality is
A linear operator
on a (complex) linear vector space
is a map
such that
In the following let
be a Hilbert space.
A linear operator
on
is bounded
with norm
if
More generally, a linear operator
on
needs not be defined on all of
,
but only on a linear subspace
of
which is called the
domain of
. Then
is a linear map.
Assume that
is dense in
, i.e.,
for each
there is a sequence
in
such that
as
.
If
is finite then
is bounded, and
extends uniquely to a bounded linear operator on
.
If the supremum is
, then
is an unbounded linear operator on
.
If
is a bounded linear operator on
then its adjoint is
the bounded linear operator
such that, for
,
The operator
is called self-adjoint if
,
and referred to as symmetric if (1.18.23) holds for
in the dense domain
of
. There is also a notion of self-adjointness for unbounded operators, see
§1.18(ix). One then needs a self-adjoint extension of a symmetric operator to carry out its spectral theory in a
mathematically rigorous manner.
An essential feature of such symmetric operators is that their eigenvalues
are real, and eigenfunctions
, corresponding to distinct eigenvalues,
are orthogonal: i.e.,
, for
. If an eigenvalue has multiplicity
, the eigenfunctions may always be orthogonalized in this degenerate sub-space.
Focus is now placed on second order differential operators as these are the subject of the remainder of §1.18.
Consider the second order differential operator acting on real functions of
in the finite interval ![]()
and functions
, assumed real for the moment. The adjoint
of
does satisfy
where
.
We integrate by parts twice giving:
Ignoring the boundary value terms it follows that
and thus
is said to be formally self adjoint.
For
to be actually self adjoint it is necessary to also show that
, as it is often the case that
and
have different domains, see Friedman (1990, p 148) for a simple example of such differences involving the differential operator
.
This question may be rephrased by asking: do
and
satisfy the same boundary conditions which are needed to fully specify the solutions of a second order linear differential
equation? A simple example is the choice
, and
, this being only one of many. This insures the vanishing of the boundary terms in (1.18.26),
and also is a choice which indicates that
, as
and
satisfy the same boundary conditions and thus define the same domains.
Thus
is indeed self adjoint.
Other choices of boundary conditions, identical for
and
, and which also lead to the vanishing of the boundary terms in (1.18.26), each lead to a distinct
self adjoint extension of
. The nature of these extensions for unbounded intervals such as
, and unbounded operators on them, are the subject of §1.18(ix).
Let
be a finite or infinite open interval in
.
Consider on
the linear formally self-adjoint second order differential operator
with
real and continuous, unless otherwise noted.
Eigenvalues and eigenfunctions of
, self-adjoint extensions of
with well defined boundary conditions, and utilization of such eigenfunctions for expansion of wide classes of
functions, will be the focus of the remainder of this section.
The special form of (1.18.28) is especially useful for applications in physics, as the connection to non-relativistic quantum mechanics is immediate:
being proportional to the kinetic energy operator for a single particle in one dimension,
being proportional to the potential energy, often written as
, of that same particle, and which is simply a multiplicative operator. The sum of the kinetic and potential energies give the quantum Hamiltonian, or energy operator; often also referred to as a Schrödinger operator. Other applications follow from the fact that
is suitable for describing vibrations, especially standing waves, which arise in many parts of engineering and the physical sciences, see Birkhoff and Rota (1989, §§10.3 and 10.16).
See §18.39(i).
In what follows
will be taken to be a self adjoint extension of
following the discussion ending the prior sub-section.
For
we can take
, with appropriate boundary conditions, and with compact support if
is bounded, which space is dense in
, and for
unbounded require that possible non-
eigenfunctions of (1.18.28),
with real eigenvalues, are non-zero but bounded on open intervals, including
.
Stated informally, the spectrum of
is the set of it’s eigenvalues, these being real as
is self-adjoint. These sets may be discrete, continuous, or a combination of both, as discussed in the following three subsections. Should an eigenvalue correspond to more than a single linearly independent eigenfunction, namely a multiplicity greater than one, all such eigenfunctions will always be implied as being part of any sums or integrals over the spectrum.
Let
be a self-adjoint extension of differential operator
of the form
(1.18.28) and assume
has a complete
set of
eigenfunctions,
,
this latter being an appropriate sub-set of
, or, in some cases
itself,
with real eigenvalues
. These eigenvalues will be assumed
distinct, i.e., of unit multiplicity, unless otherwise stated. The point, or discrete spectrum of
is then given by
. The eigenfunctions form a complete orthogonal basis in
,
and we can take the basis as orthonormal:
and completeness implies
Now formulas (1.18.13)–(1.18.20) apply. For
,
has the eigenfunction expansion, following directly from (1.18.17)–(1.18.19),
where
Further
Spectral expansions of
, and of functions
of
, these being expansions of
and
in terms of the eigenvalues and eigenfunctions summed over the spectrum,
then follow:
Possible eigenfunctions of
being
,
,
,
consider three cases, which illustrate the importance of boundary conditions.
Case 1:
. The
normalized eigenfunctions on
are
with
,
.
Case 2:
. The
normalized eigenfunctions on
are

with
,
.
Case 3: Periodic Boundary Conditions:
and
.
The
normalized eigenfunctions on
are
with
,
,
with all eigenvalues, for
, having multiplicity two, as changing the sign of
changes the eigenfunction but not the eigenvalue, and multiplicity one for
.
Letting
run from
to
this multiplicity change is automatically included:
This may be compared to (1.17.21), the resulting Fourier, or eigenfunction, expansion
where
=
,
being that of (1.8.3) and (1.8.4). The eigenfunction expansions of (1.8.1) and (1.8.2) follow from Cases 1, 2, above.
The space
is now the full real line,
.
Writing Hermite’s differential equation (see Tables 18.3.1 and
18.8.1) in the form above, the eigenfunctions are
(
a Hermite polynomial,
),
with eigenvalues
, for the differential operator

Applying equations (1.18.29) and (1.18.30), the complete set of normalized eigenfunctions being
(1.18.31) becomes
for
and piece-wise continuous, with convergence as discussed in §1.18(ii).
Eigenfunctions corresponding to the continuous spectrum are non-
functions.
Let
be the self adjoint extension of a formally self-adjoint
differential operator
of the form (1.18.28) on an unbounded interval
, which we will take as
, and assume that
monotonically as
, and that the eigenfunctions are non-vanishing but bounded in this same limit.
Assume
has no point spectrum, i.e.,
has no eigenfunctions in
, then the spectrum
of
consists only of a continuous spectrum, referred to as
.
In this subsection it is assumed that
. This will be generalized, along with the choice of
, in
§1.18(vii).
Orthogonality and normalization may then be chosen such that analogous to (1.18.19) and (1.18.20), we have

and completeness relation
See Friedman (1990, pp. 233–252) for elementary discussions of both equations and the normalization process; and also the references in §1.18(ix).
Now formulas (1.18.13)–(1.18.20) apply.
For
,
has the eigenfunction expansion, analogous to that of (1.18.33),
where
Further,
The analog of (1.18.34) is
and that of (1.18.35) is
This implies
In particular, this holds for
,
![]()

this being a matrix element of the resolvent
, this being a key quantity in many parts of physics and applied math,
quantum scattering theory being a simple example, see Newton (2002, Ch. 7).
Then
gives
for
, and 0 otherwise. This is the discontinuity across the branch cut in (1.18.52)
, from
below to above the cut, divided by
. See Newton (2002, §§7.1 and 7.3).
More generally, for
,
, see (1.4.24),
By Bessel’s differential equation in the form
(10.13.1) we
have the functions
(
, for
see §10.2(ii))
as eigenfunctions with eigenvalue
of the self-adjoint extension of the differential operator

Applying the representation (1.17.13), now symmetrized as in (1.17.14), as
,

For
piecewise continuously differentiable on ![]()

provided that:
(1.18.57) is the Hankel transform (10.22.76)–(10.22.77).
See Titchmarsh (1962a, pp. 87–90) for a first principles derivation for the case
.
The Fourier cosine and sine transform pairs (1.14.9) & (1.14.11) and (1.14.10) & (1.14.12) can be easily obtained from (1.18.57) as for
the Bessel functions reduce to the trigonometric functions, see (10.16.1).
More generally,

For
even in
this yields the Fourier cosine transform pair
(1.14.9) & (1.14.11), and for
odd the Fourier sine transform
pair (1.14.10) & (1.14.12). These latter results also correspond to use of the
as defined
in (1.17.12_1) and (1.17.12_2).
More generally, continuous spectra may occur in sets of disjoint finite intervals
, often called bands, when
is periodic,
see Ashcroft and Mermin (1976, Ch 8) and Kittel (1996, Ch 7). Should
be bounded but random, leading to Anderson localization,
the spectrum could range from being a dense point spectrum to being singular continuous, see Simon (1995),
Avron and Simon (1982); a good general reference being Cycon et al. (2008, Ch. 9 and 10). For example, replacing
of (28.2.1)
by
,
gives an almost Mathieu equation which for appropriate
has such properties.
In general, operators
being formally self-adjoint second order
differential operators of the form (1.18.28), with
unbounded, will have both
a continuous and a point spectrum, and thus, correspondingly,
eigenfunctions as in §1.18(vi) and
eigenfunctions as in §1.18(v).
We assume a continuous spectrum
,
and a finite or countably infinite point spectrum
with elements
. In what follows, integrals over the continuous parts of the spectrum will be denoted by
, and sums over the discrete spectrum by
, with
denoting the full spectrum.
It is to be noted that if
any of the
have degenerate sub-spaces, that is subspaces of orthogonal eigenfunctions with identical eigenvalues,
that in the expansions below all such distinct eigenfunctions are to be included.
Then orthogonality and normalization relations are


compare (1.18.29) and (1.18.44). The formal completeness relation is now
compare (1.18.30) and (1.18.45), and the eigenfunction expansions are of the form

Note that the notations of (1.18.32) and (1.18.47) are used to distinguish the contributions from the discrete and continuous parts of the spectrum. Then

The analogs of (1.18.49)–(1.18.52) may be written in a similar fashion each now including contributions from both the discrete and continuous parts of the spectrum, as in (1.18.65). Showing one, representative, example: the analog of (1.18.52) is now

This representation has poles with residues
at the discrete eigenvalues and a branch cut along
with discontinuity,
from below to above the cut,
, as in (1.18.53), see Newton (2002, §7.1.1).
Note that the integral in (1.18.66) is not singular if approached separately from above, or below, the real axis: in fact analytic continuation from the upper half of the complex plane, across the cut, and onto higher Riemann Sheets can access complex poles with singularities at discrete energies
corresponding to quantum resonances, or decaying quantum states with lifetimes
proportional to
. For this latter see Simon (1973), and Reinhardt (1982); wherein advantage is taken of the fact that although branch points are actual singularities of an analytic function, the location of the branch cuts are often at our disposal, as they are not singularities of the function, but simply arbitrary lines to keep a function single valued, and thus only singularities of a specific representation of that analytic function. This is accomplished by the variable change
, in
, which rotates the continuous spectrum
and the branch cut of (1.18.66) into the lower half complex plain by the angle
, with respect to the unmoved branch point at
; thus, providing access to resonances on the higher Riemann sheet should
be large enough to expose them. This dilatation transformation, which does require analyticity of
in (1.18.28), or an analytic approximation thereto, leaves the poles, corresponding to the discrete spectrum, invariant, as they are, as is the branch point, actual singularities of
.
Suppose that
is the whole real line in one dimension, and that
, in (1.18.28) has (non-oscillatory) limits of 0 at both
,
and thus a continuous spectrum on
. What then is the condition on
to insure the existence of at least a single eigenvalue in the point spectrum?
The discussions of §1.18(vi) imply that if
then there is only a continuous spectrum. Surprisingly, if
on any interval on the real line,
even if positive elsewhere, as long as
, see Simon (1976, Theorem 2.5), then there will be at least one eigenfunction with a negative eigenvalue,
with corresponding
eigenfunction. Thus, and this is a case where
is not continuous, if
,
,
there will be an
eigenfunction localized in the vicinity of
, with a negative eigenvalue, thus disjoint from the continuous spectrum on
.
Similar results hold for two, but not higher, dimensional quantum systems. See Brownstein (2000) and Yang and de Llano (1989) for numerical examples,
based on variational calculations, and Simon (1976) and Chadan et al. (2003) for rigorous mathematical discussion.
Consider formally self-adjoint operators of the form

which appear in the quantum theory of binding or scattering of a particle
in a spherically symmetric potential
in three dimensions, and where
. The bound states are in the negative energy discrete spectrum, and the scattering states are in the positive energy continuous spectrum,
, or, said more simply, in the continuum.
See §18.39 for discussion of Schrödinger equations
and operators.
For fixed angular momentum
the appropriate self-adjoint extension of the above operator may have both a
discrete spectrum of negative eigenvalues
,
with corresponding
eigenfunctions
, and also a
continuous spectrum
, with Dirac-delta
normalized eigenfunctions
, also with measure
. Unlike in the example in the paragraph above, in 3-dimensions a “dip below zero, or a potential well” in
does not always correspond to the existence of a discrete part of the spectrum. The well must be deep and broad enough to allow existence of such
discrete states. The number,
, of discrete states depends on the nature
of
, as well as
, and, again,
must vanish as
,
corresponding to the traditionally assumed start of the energy continuum
at
. In unusual cases
, even for all
,
such as in the case of the Schrödinger–Coulomb problem
(
) discussed in §18.39 and §33.14, where the point spectrum actually accumulates at the onset of the continuum at
,
implying an essential singularity, as well as a branch point, in matrix elements of the resolvent, (1.18.66).
See Bethe and Salpeter (1977, Ch. 1, (4.12)–(4.13)) for the resulting transform pair in this case.
If
is an unbounded linear operator on a Hilbert space
with dense domain
then the adjoint
of
is the
linear operator with domain
such that

A linear operator
with dense domain is called symmetric if

If
is symmetric then
, i.e.,
and
for
. Then also
, where
.
If
then
is essentially self-adjoint
and if
then
is self-adjoint.
Let
be a linear operator on
with dense domain
and with range
.
Such an operator
is called injective if, for any
in its domain,
implies that
.
The resolvent set
consists of all
such that (i)
is injective, (ii)
is dense in
,
(iii) the resolvent
is bounded. The spectrum
is the complement in
of
.
The spectrum
is the disjoint union of three sets:
The point spectrum
. It consists of all
for which
is not injective, or equivalently, for which
is an
eigenvalue of
, i.e.,
for some
.
The continuous spectrum
. It consists of all
for which
is injective and has dense range, but
is not
bounded.
The residual spectrum. It consists of all
for which
is injective, but does not have dense range.
If
is a bounded operator then its spectrum is a closed bounded subset of
. If
is self-adjoint (bounded or unbounded) then
is a closed subset of
and the residual spectrum is empty.
Note that eigenfunctions for distinct (necessarily real) eigenvalues of
a self-adjoint operator are mutually orthogonal. If an eigenvalue is of multiplicity
greater than 1 then an orthonormal basis of eigenfunctions can be given for the eigenspace.
Let
be a symmetric operator on a Hilbert space
, so
is dense in
and
.
For
let
be the
-eigenspace of
, i.e.,
is the linear subspace of
consisting of all
for which
. Then
is constant
for
and also constant for
. Put
(
) and
(
),
the deficiency indices for
. Then
has self-adjoint extensions iff
.
We have a direct sum of linear spaces:
.
Assume
. Then any self-adjoint extension of
is determined by a linear
isometry
and it is the restriction of
to
.
For a formally self-adjoint second order differential operator
, such as that of (1.18.28), the space
can be seen to consist of all
such that the distribution
can be
identified with a function in
, which is the function
.
Then, for
,
iff
is an ordinary solution (i.e.,
) of
which is
moreover in
. Thus
has dimension 0, 1 or 2. Also, because
is real-valued,
iff
.
So
has self-adjoint extensions with deficiency indices
, or 1 or 2.
Pick
.
Let
be the deficiency indices for
restricted to
, and
the ones for
restricted to
. Then
and
are independent of
.
By Weyl’s alternative
equals either 1
(the limit point case) or 2 (the limit circle case), and
similarly for
. The two (equal) deficiency indices of
are then equal to
.
A boundary value for the end point
is a linear form
on
of the form

where
and
are given functions on
, and where the limit has
to exist for all
. Then, if the linear form
is nonzero,
the condition
is called
a boundary condition at
.
Boundary values and boundary conditions for the end point
are defined in a
similar way.
If
then there are no nonzero boundary values at
; if
then the above boundary values at
form a two-dimensional class.
Similarly at
. Any self-adjoint extension of
can be obtained by restricting
to those
for which, if
,
for a chosen
at
and, if
,
for a chosen
at
.
The above results, especially the discussions of deficiency indices and limit point and limit circle boundary conditions, lay the basis for further applications. The reader is referred to Coddington and Levinson (1955), Friedman (1990, Ch. 3), Titchmarsh (1962a), and Everitt (2005b, pp. 45–74) and Everitt (2005a, pp. 272–331), for detailed methods and results.
The materials developed here follow from the extensions of the Sturm–Liouville theory of second order ODEs as developed by Weyl, to include the limit point and limit circle singular cases. This work is well overviewed by Coddington and Levinson (1955, Ch. 9), and then applied in detail by Titchmarsh (1946), Titchmarsh (1962a), Titchmarsh (1958), and Levitan and Sargsjan (1975) which also connects the Weyl theory to the relevant functional analysis. In parallel, similar, and more general formulations have grown out of functional analysis itself, as in the work of Stone (1990), Rudin (1973), Reed and Simon (1980), Reed and Simon (1975), Reed and Simon (1978), Reed and Simon (1979), Cycon et al. (2008), Dunford and Schwartz (1988, Ch. XIII), Hall (2013, pp. 127-223). Friedman (1990) provides a useful introduction to both approaches; as does the conference proceeding Amrein et al. (2005), overviewing the combination of Sturm–Liouville theory and Hilbert space theory. See, in particular, the overview Everitt (2005b, pp. 45–74), and the uniformly annotated listing of 51 solved Sturm–Liouville problems in Everitt (2005a, pp. 272–331), each with their limit point, or circle, boundary behaviors categorized.