1. Introduction
One dimensional quantum models are often useful for a better understanding of quantum systems. The infinite one dimensional square well (or particle of mass m in a one-dimensional box) is characterized by an infinite value of the potential outside a finite interval, in which this potential is zero. Elementary books in Quantum Mechanics give an exact solution to the eigenvalue problem (Schrödinger equation with boundary conditions) provided by this model, showing a countably infinite number of energy levels given by the formula , , where m has the dimensions of a mass and L is the length of the interval in which the potential is equal to zero. These energy levels has been determined using the boundary condition that the solutions of the Schrödinger equation vanishes at the edges of the interval with zero potential. We call this solution the textbook solution.
From the mathematical point of view, this is the same that solving the eigenvalue problem with as an operator on the Hilbert space , where we have chosen and for simplicity. So far, we always write to denote the operator on the Hilbert space , unless otherwise stated.
The choice of the interval is really irrelevant under the condition that it be finite. If we demand that the solutions vanish inside the region where the potential is infinite and assume that they should be continuous at all points, which implies that they should be zero at the edges (in our case at ), we obtain the textbook solution for the energy levels. This is all well known.
However, this is not the whole story. Recall that a Hamiltonian should be a self adjoint operator (we discard other considerations such that pseudo-hermiticity or PT-symmetric Hamiltonians). In addition, although we always should require to the wave functions to be zero inside the region of infinite potential, there is no clear reason why they should be continuous at all points. They have to be square integrable and this allows for finite jumps of the wave function at some points. Thus, we may consider wave functions which do not vanish at the edges .
The operator
on the Hilbert space
is an unbounded operator, which in particular means that it is not defined on all functions of the Hilbert space, but instead on all functions belonging to the dense subspace
of all absolutely continuous square integrable functions on
with absolutely continuous first derivative and whose second derivative, which is well defined except possibly on a set of zero Lebesgue measure, is also square integrable on the same interval. Let us also consider the following scalar product of functions
,
, and use integration by parts:
Now, the objective is to characterize all self adjoints determinations (also called
extensions [
1], both expressions will be used indistinctly along the paper) of the differential operator
on
. To do it, we need to characterize their respective domains, which are dense subspaces of
contained in
. The procedure is well know, since functions
belong to one of these domains if and only if they fulfil the following relation:
The terminology of self adjoint determinations or self adjoint extensions of a symmetric operator, in particular the differential operator
, is explained in
Appendix C.
As proven in [
2], this condition may be written in matrix form as
:
where
U is an arbitrary
unitary matrix. In fact, according to a Theorem due to von Neumann [
3], each unitary
matrix gives different choices of domains for
in which
is self adjoint. Each of the
unitary matrices is characterized by the particular choice of a set of four independent real parameters. The most general form of these matrices is [
2]:
with
,
. Note that there are four independent parameters,
and three out of the
, where the dependent parameter may be conveniently chosen. Each of the choices of these parameters gives relations between the boundary values of functions and their derivatives and these relations determine the domains of each self adjoint determination of
. A pedagogical presentation of the self-adjoint determinations of
is given in [
2]. All them have some features in common such as having a purely discrete spectrum with an infinite number of eigenvalues and eigenfunctions, as happens for the particular case studied in textbooks. This fact is shown in [
4], vol 2, p. 90.
The study of supersymmetric (SUSY) partners of a given Hamiltonian has been an object of study during the past few decades. As a result, many articles have been published. For the benefit of the reader, we have selected to list in the bibliography just a few [
5,
6,
7,
8,
9,
10,
11,
12,
13,
14,
15,
16,
17,
18,
19]. This kind of supersymmetry intends the construction of a sequence of Hamiltonians, derived from an original Hamiltonian, with a closely related energy spectrum, which could be obtained from the spectrum of this original Hamiltonian.
In a previous paper [
20], we have obtained sequences of supersymmetric partners from a wide class of these self adjoint determinations of
. In the studied cases, being given a self adjoint determination of
on
, we obtain a sequence of partners with the property that each of the Hamiltonians of the sequence loses the ground state of the previous one; all the rest of the spectrum remains the same. All potentials in one and the same sequence have the form
, where
V is a potential obtained with the ground state of the previous Hamiltonian using a well known procedure [
17] and that we describe in
Appendix A. In all cases studied in [
20], the energy of the ground state of the self-adjoint determination of
used is positive, no degenerate and its corresponding wave function has no nodes, i.e., no zeroes.
In spite of its appearance, not all self adjoint determinations of
have ground state with positive energy. Some determinations have ground state with zero energy and, most surprising, with negative energy, so that these determinations are not positive definite operators. In both cases, a result due to Naimark [
4] shows that we may have either one (possible with double degeneracy) or two negative energy states, or a ground state with negative energy and a first excited state with zero energy, or a zero energy ground state, possibly with double degeneracy. No other possibility exists. Since the study of SUSY partners for these determinations is somehow different than for the rest, we call
exceptional cases to this situations. The category of exceptional cases also include those determinations for which the ground state wave function has a node (zero). Their first formal partner may have a completely different properties than the original Hamiltonian, for instance it may have a finite number of eigenvalues or even a purely continuous spectrum. By formal partner, we mean a first SUSY partner constructed following the general rules as explained in
Appendix A. To close the category of exceptional cases, we include those which are not exactly solvable in the sense that we cannot give for the first partner either the exact values of all eigenvalues or their respective wave functions.
The objective of the present article is the determination and study of the first partner in these exceptional cases. We should note that this determination means the construction of the potential of the Hamiltonian partner.
The present article is organized as follows: in
Section 2, we summarize the main results given in [
20] and makes the present article self contained. This summary will help us to understand the problem under consideration. We say in passing that we have corrected here an imprecision in [
20]. In
Section 3, we make a first attempt to classify the self adjoint extensions with ground state with zero or negative energy including degeneracies, such that the wave functions of these states still have symmetry properties. In
Section 4, we construct their first or second SUSY partner. Note that for degenerate ground states a different technique should be used. Finally, on a brief
Section 5, we give an example on how the absence of the mentioned symmetries for the wave function of the ground state may give a non-Hermitian first SUSY partner. The paper closes with three Appendices including the construction of first and second SUSY partners, with or without degeneracy on the ground state and one more on extensions of symmetric operators. This is known material that we add for the benefit of the reader.
2. Regular Cases
By regular cases, we mean the study of the SUSY partners of those self adjoint determinations of the operator on (original Hamiltonian) which are exactly solvable and have strictly positive eigenvalues only. In addition to positivity, we add the extra conditions in order to assure the solvability of both the eigenvalue problem associated to the original Hamiltonian and the analytic determination of all SUSY partners at all orders. Along this section, by positivity we mean strict positivity, in the sense that all eigenvalues are strictly positive.
In the introduction of Formula (
4), we have given an operator
U that characterize all self adjoint determinations of
on
. This operator gives the boundary conditions that give the different domains of all self-adjoint determinations. Now, it is convenient to provide of a notation for the domain defined by
U as
, so that
is the domain of the self adjoint determination of
fixed by
U.
Why is it possible to have determinations of
with negative energy? Assume that
. Then,
Observe that the right hand side of (
5) may be negative for some
. We give some examples in
Section 3.
Regular cases have been studied in [
20] and it is interesting to give a summary of the obtained results here. First of all, we have to characterize those self adjoint determinations of
on
corresponding to the regular cases. Since all eigenvalues are positive, their general form should be
, where
s is a real discrete parameter. Determinations of
satisfying this condition are
strictly positive. Recall that all extensions have an infinite number of eigenvalues. These eigenvalues must satisfy the time independent Schrödinger equation
. The general form of the eigenfunctions for all self adjoint extensions should be:
where the coefficients
A and
B are determined by the boundary conditions. Now, let us consider strictly positive determinations. Using (
6) in (
4), we obtain the following system of linear equations on the parameters
A and
B:
where
, with
and
Since
, otherwise the solutions of (
7) would have been
, one of the eigenvalues of
must be zero and the other the trace of the matrix
,
. The determinant of
is easy to calculate and, after some algebra, the expression
yields:
These are two transcendental equations, one with plus sign and the other with minus sign, which give the values of s and, therefore, the values of the energy in terms of the parameters , and . This expression is valid for all positive determinations of including those with and . However, the energy values do not depend on and .
We also want to obtain the values for
and
in order to obtain the wave function which corresponds to the eigenvalue
E given by
s, through
. Although this coefficients have been obtained in [
20], we recalculate them here as the result given in [
20] was not fully correct. One interesting point is that, no matter if the energy levels do not depend on
and
, the wave functions
do depend on these parameters in general. To begin with, let us write the general form for the eigenvalues of the matrix
as:
Since
is a complex matrix, its zero eigenvalue is not necessarily
as claimed in [
20]. Instead, the zero eigenvector is either
or
depending whether the argument of
lies on the left,
, or the right,
, complex half-planes, respectively. Then, if we write the matrix
in simplified form as:
the eigenvectors
of
with zero eigenvalue should have the form,
This gives the following result, which has been corrected respect the result given in [
20]:
and
From these results, one may study the behaviour of the self adjoint extensions preserving positivity, i.e., those with a ground state with positive energy. Partial results may be found in [
2,
20]. The form for these coefficients with
is obvious.
In addition to the angular parameter
, the relation
suggests the possibility of writing all other parameters in terms of some angular variables
,
as follows:
We have shown that the energy levels of those (strictly) positive extensions of
are solely determined by the values of three parameters:
. Alternatively, they depend on three angular variables only,
, as we may infer from (
16). However, due to the complicated form of the transcendental equation (
10), it is not possible in general to obtain an explicit expression of the form
from (
10) and (
16). This explicit expression would have been very useful in order to obtain the spectrum of all the considered self adjoint extensions. Nevertheless, in some particular cases, simple transcendental equations can be given, which have been studied in [
20]. For instance, if the wave equation for the ground state,
, is parity invariant, which means
. This happens if and only if
at least one of the following three relations hold:
Before going on, it is important to say that there exists a group of extensions for which the solution, , of the time dependent Schrödinger equation is time reversal invariant in the sense that . These are characterized by .
Then, the three relations (
19) shows that these tractable cases may be grouped into three clases:
Extensions with parity and time reversal invariance. These are those for which
and, therefore,
, so that
and
. Now, the transcendental Equation (
10) becomes much simpler and the sign depends on the possible values of
s. Thus, the sign is positive if
s lies on the intervals
and is negative if
s belongs to the intervals
. In both cases, the transcendental equations given the values of the energy are, respectively,
Note that
and
are two independent angles varying from 0 to
. The solutions in
s,
,
of (
20) and (
21), give the energy levels,
. The respective eigenfunctions are:
Parity preserving extensions fulfilling . The energy levels are , , which correspond to the energy levels obtained for the extension described in textbooks.
Parity preserving extensions fulfilling (
19).
In [
20], we have obtained sequences of SUSY partners for these extensions. It is time to drop the positivity condition and consider more general situations and this is precisely the goal of the present article, to be discussed next.
3. Transcendental Equation for Other Cases
In addition to positive extensions, which are those with ground state with strictly positive energy, two other situations are possible" either the ground state has zero energy or negative energy. In the latter case, as mentioned in the Introduction, there are one or two negative energy levels, so that implies with r real for these levels. Zero energy means one solution with .
Then, let us go back to the matrix
in (
12). This matrix has different forms depending on the three cases considered, which are: (i) Positive ground state energy
,
; (ii) Negative ground state energy,
,
; (iii) Zero ground state energy,
,
. These matrices are rather complicated and their explicit form is not very interesting. The condition that their respective determinants are equal to zero gives the following respective transcendental equations:
(i) For
,
gives:
(ii) For
,
gives,
(iii) For
,
gives:
While (
23) gives all possible positive values of the energy in terms of
s, Equation (
24) gives the possible values with negative energy (two maximum). Equation (
25) gives the relation that the parameters should satisfy for the existence of a ground state with zero energy.
So far, we have concentrated ourselves in positive extensions or determinations of on and the calculation of their SUSY partners. After we drop the positivity condition, we have to select solvable extensions in the sense that we may, at least, find the explicit for for the wave function of the ground state. As mentioned earlier, this wave function is essential in order to obtain the first partner.
The “solvable” cases object of our next study are those preserving time reversal invariance and parity inversion, with the previously discussed senses. This implies that at the same time our determinations of
verify two conditions: (i)
, for the time reversal invariance and (ii) any or several of (
17)–(
19).
In terms of the new independent angular parameters
as defined in (
16), we are considering extensions with
, so that these extensions are labelled by
.
Now, transcendental equations given the energy values are quadratic on the square root of the energy, which is given by s for the positive energy solutions and by r for the negative energies. Transcendental equations may be factorized into two equations on the respective variables s and r. They have even or odd ground state wave functions, respectively.
In the next table, we we list these transcendental equation with their respective ground state wave function.
In
Table 1, we have obtained the transcendental equation given the negative energy eigenvalues (two maximum) by making the change
, as previously mentioned. It is convenient the use of graphics in order to describe the behaviour of the solutions of the above transcendental equations.
In
Figure 1, we observe the zone of negative energies from the plane
. We have divided the figure into several regions. Orange and blue color represent the values of
for which there are negative eigenvalues of even or odd eigenfunctions, respectively. In the absence of color (white) the values of
determine a ground state with positive energy. In the regions (a) and (b), we have only one state with negative energy, which is the ground state. Contrarily, regions (d) and (c) display two eigenvalues with negative energy. In the case of (d) the orange color superposes the blue color. This means that the ground state is odd and the first excited state is even. The opposite is true in the region (c). Dashed lines correspond to ground states with zero energy and the red line shows negative energy doubly degenerated.
In
Figure 2, we include a three-dimensional picture, where the third coordinate corresponds to the (negative) energy. It is clear here that the degenerate levels are in the intersection of the two latter surfaces on
Table 1. Each of these surfaces are written on the form
.
We give a summary of these results on
Table 2. In the first column, a label denotes the corresponding regions in
Figure 1. The last column gives the signs of the energy of the ground state and the first few excited states corresponding to the classes of self adjoint extensions described on columns 2 and 3.
Note that the parity of the first excited state having positive energy may be either odd or even, independently of the parity of the ground state. Meanwhile, if the first excited state has negative or zero energy, the parity of its wave function is the opposite to the parity of the ground state wave function.
In
Figure 3, we depict the regions in the space of parameters
for which there exists a ground state with negative energy. The empty regions give the values of the parameters for those extensions with ground state with positive energy. The black net covers those surfaces for which there exists zero energy levels, characterized by
.
The black dashed lines in Figure
1 mean the intersection of the plane
with the two last surfaces in the mid column of
Table 1. The intersection of these two surfaces give the degeneration of the negative energy levels. The equations on the plane
of these dashed lines are as follows:
(i) The intersection of
with the forth surface in
Table 1 is given by
(ii) The intersection of
with the third surface in
Table 1 is given by
(iii) There is only one situation in which there exists one degenerate level with zero energy. This is given by the following value of the parameters:
The corresponding even and odd eigenfunctions are given as the third and forth entry in the third column of
Table 1, respectively.
When the ground state is doubly degenerate (
28), we may also obtain the remaining values of the spectrum, which are all positive. For even and odd wave functions, the values of the energies are respectively given by the following transcendental equations:
Obviously, both equations have a solution for
, hence the double degeneracy of the ground level. The solutions of the first equation in (
29) are obvious and of the second are given by the intersections of
with
.
In
Figure 4, we show the values of the parameters
and
for which the first positive excited state has wave functions with parity odd (blue) or even (orange). The point at which the dotted lines cross give the degenerate level with zero energy. Negative energy levels have been depicted in
Figure 1.
In
Figure 5, we represent the surfaces
given the states with positive energy with wave equations with parities even (orange) or odd (blue). Contrary to the first energy levels classified in
Table 2, there are plenty subcategories, so that the equivalent of
Table 2 in this case would have been extremely complicated. Note that
Figure 4 is nothing else than the projection into the plane
of
Figure 5.
Concerning solutions with ground state with positive energy, we arrive to the following conclusions for spectra and eigenfunctions of extensions in terms of the parameters :
The energy levels and the eigenfunctions for the extensions characterized by the values
,
and
coincide with those given in textbooks:
with
. We call this result the
textbook solution.
There are two extensions with a double degenerate positive spectrum, which are given by the values
and
. The former has a ground state of odd parity and its energy levels are:
with respective wave functions:
From (
32), we observe that excited states are doubly degenerate. The extension given by
has a ground state with even parity with
. The remaining energy values are
with
. Again we observe a double degeneracy for all states save for the ground state.
In general, it is not possible the determination of all the values of the energy, since they come after the solution of a transcendental equation. Using Mathematica or another numerical method, we may obtain a finite number of eigenvalues for each extensions, but no more. On the other hand, once we have the value of the energy, we have the corresponding eigenfunction. Nevertheless the higher the value of
n the closer the energy levels are to the levels of the textbook solution given in (
30).
5. A Comment and Example on General Cases
So far, we have studied the exactly solvable cases here and in [
20], all others admit numerical solutions only. In addition, we have considered situations in which the ground state wave function is real. What happens if this wave function were complex? Then, the first SUSY Hamiltonian
is not even Hermitian. Let us see an example thereof.
We determine a self adjoint extension were the wave function of the ground state have not a defined parity, so that
, and is not “time reversal invariant” in the sense given in [
2], which means that
. We may use either one of the two kinds of parameters, with equivalence given in (
16), in order to fix a generic self adjoint extension without this two mentioned symmetries. We choose to fix the angles
,
, and
, so that:
The determination of the wave functions for the ground level and the first excited levels is possible. One sees that these wave functions are complex, so that we may depict their probability density, which we do in
Figure 13. In
Figure 14, we depict the logarithmic deviation of the square root of the energy levels with respect to the standard extension discussed in the textbooks.
The wave function of the ground state is:
Observe that this ground state wave function is complex, contrarily to the cases previously studied. The ground state energy is now,
which is negative. In the present example, the only level having a negative energy is the ground level.
With these ingredients, we may obtain the Hamiltonian for the first SUSY partner, which is not Hermitian due to the fact that
is not real. The potential for
is:
In
Figure 15 and
Figure 16, we represent the real and the imaginary parts of the potential in (
78) and the graphics for the probability density corresponding to the first six eigenfunctions of
.
SUSY partners with complex potentials have previously been obtained. For instance, it typically appear when, instead a bound state, we use a decaying state or Gamow state function for a resonance to construct the partner instead the ground state of a self adjoint operator with discrete spectrum [
23].
6. Discussion and Conclusions
Supersymmetric (SUSY) is a technique that may serve to construct Hamiltonians with discrete spectrum, similar to the spectrum of a given Hamiltonian. One of the most celebrated models in non-relativistic quantum mechanics is the one dimensional infinite square well, which is mathematically modelled by the operator on , being finite. However, there is not a unique self adjoint operator defined by on , but instead a family of independent self adjoint determination of this operator depending on the values of four real parameters.
The objective of the present research is the investigation of the SUSY partners for these self adjoint determinations (also called extensions). For a large number of these extensions, under certain conditions such as a ground state with positive energy, no zeroes (also called nodes) and some symmetry conditions, all these SUSY partners have been classified in a previous paper [
20]. For each of these determinations, we have obtained an infinite chain of partners, each one differing from the previous one by an eigenvalue. The shape of the potential and the eigenfunctions may differ from one partner to another.
The objective of the present article is the investigation of the SUSY partners of those extensions that do not satisfy the previous conditions. Some of them may have a ground state with negative energy that may have double degeneracy. Others have a ground state with zero energy that may also be doubly degenerate. Still keeping symmetry conditions for the wave function of the ground state, such as having a definite parity, we may find the exact form of the first SUSY partner Hamiltonian, and, hence, following a technique explained in [
20], of all partners. When a double degeneracy on the ground state appears, we need to use a different technique that goes directly to the second partner. We show that extensions with a ground state with nodes in the wave function may lead to formal partners which do not satisfy the condition of having a similar discrete spectrum than of the original Hamiltonian and that may even have no eigenvalue.
Partners of extensions without symmetry conditions are difficult to classify. Here, the ground state wave function may even be complex and this gives rise to a complex partner potential, as to a non-Hermitian partner Hamiltonian. It would be of some interest to search for the possibility of finding PT-symmetric Hamiltonians among these non-Hermitian Hamiltonians obtained by this method.