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Received on April 30, 2019; Revised on June 28, 2019; Accepted on August 17, 2019.
The continuous spectrum of a quantum mechanical (QM) system contains important information on the system.
However, the normalization of wave functions of the continuous spectrum is often difficult and therefore is often
omitted from the books on QM. We discuss this problem and show how we can overcome this problem technically,
with some examples.
Keywords: continuous spectrum, normalization, distribution theory
Revista Brasileira de Ensino de Física, vol. 42, e20190099, 2020 DOI: http://dx.doi.org/10.1590/1806-9126-RBEF-2019-0099
Amaku et al. e20190099-3
1
Z ∞ with boundary condition ψ 0 (0) = αψ(0). The eigenfunc-
= lim
L→∞ 2 0
f (k1 )dk1 tions of this problem are
α
(24)
sin[(k1 − k2 )L] sin[(k1 + k2 )L]
× − . (17) ψ(x) = cos(kx) + sin(kx)
k
k1 − k2 k1 + k2
where k 2 = E.
Consider the first integral and change variable To normalize this function we need the relations (14),
ξ (23) and the following relation
= (k1 − k2 ). (18) Z ∞
L
[k2 sin(k1 x) cos(k2 x) + k1 sin(k2 x) cos(k1 x)] dx = 0.
Then the first integral becomes 0
(25)
Z ∞
ξ
f (k2 + L )dξ To prove equation (25) we replace the upper limit
1 L of the integral by L, multiply by a function f (k1 ) and
lim sin ξ
integrate to get
L→∞ 2 ξ
−k2 L L
Z 0 Z ∞
1 sin ξ sin ξ Z ∞ Z L
= f (k2 ) dξ + dξ lim f (k1 )dk1 [k2 sin(k1 x) cos(k2 x)
2 −∞ ξ 0 ξ L→∞
Z ∞ 0 0
sin ξ + k1 sin(k2 x) cos(k1 x)]dx =
= f (k2 ) dξ
0 ξ Z ∞ Z L
π d
= f (k2 ). (19) lim
L→∞ 0
f (k1 )dk1
dx
[sin(k1 x) sin(k2 x)dx] =
2 Z ∞ 0
We have used (see [8, p. 285]) lim f (k1 )dk1 sin(k1 L) sin(k2 L) = 0 , (26)
L→∞ 0
Z ∞
sin x π
dx = . (20) where we have used the relation (see [9, p. 310])
0 x 2 Z ∞
lim f (k1 ) sin(k1 L)dk1 = 0 . (27)
The second integral gives zero in the limit L → ∞, as L→∞ 0
can be easily verified. In fact, the second integral after
After some more calculations we get the properly nor-
the transformation
malized eigenfunction which is
ξ
(21)
12
= (k1 + k2 ) 2 − 1 α
L ψ(x) = k α2 + k 2 2 cos(kx) + sin(kx) .
π k
becomes (28)
ξ We shall give another demonstration of this formula in
∞ f (−k2 + L )dξ
the example 5.
Z
1
− lim L
ξ
sin ξ (22)
L→∞ 2 k2 L L
DOI: http://dx.doi.org/10.1590/1806-9126-RBEF-2019-0099 Revista Brasileira de Ensino de Física, vol. 42, e20190099, 2020
e20190099-4 The normalization of wave functions of the continuous spectrum
3.2. Normalizing the eigenfunctions when At x = 0 the left hand side of the previous equation
V (x) → 0 sufficiently fast as x → ∞ gives zero and using the asymptotic value of the eigenfunc-
tions, namely C(k1 ) sin(k1 x+δ1 ) and C(k2 ) sin(k2 x+δ2 ),
We first examine the equation that results for V (x) ≡ 0
we get
d2 Z R
− φ(x) = Eφ(x) (29) 1
ψk∗1 ψk2 dx = (C(k1 )C(k2 ))
dx2 2
0
with boundary conditions φ(0) = 0 and φ0 (0) = 1.
1
× sin [(k1 − k2 )R + δ1 − δ2 ]
We have only eigenfunctions of the continuous so that k1 − k2
we can write equations (6) and (8) as 1
Z ∞ − sin [(k1 + k2 )R + δ1 + δ2 ] . (37)
k1 + k2
ψ(x) = φ(E)uE (x)dE (30)
Now, we want to show that the mathematical object
Z0 ∞
ψk1 ψk2 dx is proportional to δ(k1 − k2 ) as R → ∞.
RR ∗
φ(E) = uE (x)ψ(x)dx. (31) 0
0 To do this, we have to show that this object multiplied
√ by any good function f (k2 ) and integrated in R in this
But since uE (x) = sin√ Ex
E
we have limit gives f (k1 ).
√ The second part
Z ∞
sin Ex
(32)
Z R
φ(E) = √ ψ(x)dx 1 1
0 E − (C(k1 )C(k2 ))
0 2 k1 + k2
and × sin [(k1 + k2 )R + δ1 + δ2 ] f (k2 ) dR (38)
√
Z ∞
sin Ex
ψ(x) = φ(E) √ dE. (33) gives zero because the term between brackets oscillates
0 E
violently as R → ∞.
The correct normalization of a eigenfunction of the The first part
continuous spectrum of a problem such that V (x) → 0
as x → ∞ is obtained by matching the eigenfunction to
Z R
1 1
− (C(k1 )C(k2 ))
equation (33) when x → ∞ [1]. 0 2 k1 − k2
× sin [(k1 − k2 )R + δ1 − δ2 ] f (k2 ) dR (39)
Example 4) A square well
Consider the case when V (x) is given by V (x) = −V0 also goes to zero if k1 6= k2 . However when k1 → k2 , δ1
, (V0 > 0) for 0 < x < a and V (x) = 0 for x > a with cancels with δ2 and we are left with
boundary condition ψ(0) = 0 (an impenetrable barrier Z R
1 1
to the left).
− (C(k1 )C(k2 )) sin [(k1 − k2 )R]
The eigenfuction for E > 0 is given by 0 2 k1 − k2
f (k2 )dR. (40)
ψk (x) = A(k) sin(Kx) for x < a (34)
Therefore, in the limit as R → ∞, we get
and Z R
1 1
lim − (C(k1 )C(k2 )) sin [(k1 − k2 )R]
ψk (x) = B(k) (sin δ cos kx + cos δ sin kx) R→∞ 0 2 k1 − k2
π
= B(k) sin(kx + δ(k)) for x > a , (35) 2
f (k2 )dR = |C(k1 )| δ(k1 − k2 )f (k1 ), (41)
2
where K = (E + V0 )1/2 and k = E 1/2 . as we showed in equation (16) above. A different approach
The ratio B(k)/A(k) = C(k) can be determined by to this problem is shown in Remark 2.
imposing continuity of the eigenfunction at x = a and by Hence the proper normalization is obtained by making
imposing continuity of the derivative of the eigenfunction |C(k)| = (2/π)1/2 as claimed. The eigenfunctions for
at x = a. E > 0 are then given by
The wave function will be properly normalized by 12
imposing the condition C(k) = (2/π)1/2 . ψk (x) =
2
C(k)−1 sin(Kx), for x < a (42)
To proof that this recipe produces the proper normal- π
ized eigenvalue we proceed as follows: and
Consider the eigenfunction at two values of the energy
k1 and k2 . Then using the Schrodinger equation we get
12
2
ψk (x) = (sin δ cos kx + cos δ sin kx)
π
R dψk1∗ R
Z
1 dψk2 ∗
ψk∗1 ψk2 dx =
12
ψ − ψk . 2
0 k12 − k22 dx k1 2
dx 0 = sin(kx + δ(k)), for x > a, (43)
(36) π
Revista Brasileira de Ensino de Física, vol. 42, e20190099, 2020 DOI: http://dx.doi.org/10.1590/1806-9126-RBEF-2019-0099
Amaku et al. e20190099-5
where K = (E + V0 )1/2 and k = E 1/2 . where Im{m(E + i)} means imaginary part of m(E + i).
The above calculation was adapted from the book by In formula (48) the normalization of uE (x) is arbitrary
Perelomov and Zel’dovich [10, p. 53-55]. It is however but ρ(E) must be calculated and it contains all the
more convenient to use the following result, that can be information we need about the continuous spectrum of
found in [3, p. 247] and that is based in the following the problem.
theorem: The normalization of uE (x) is obtained from equation
(48) as follows
Theorem 1 (Friedman [3]) The eigenfunctions of the
continuous spectrum uk (x) of the operator − dx
d2
Z Z
2 + V (x),
X
∗
ψ(x) = ci uEi (x) + uE (x)ψ(x)dx
where V (x) vanishes when x → ∞ and uk (x) satisfies
some boundary condition at x = 0 are properly normalized ×uE (x)ρ(E)dE, (50)
if they are solutions of the equation
where we have replaced C(E) in equation (49) by its
d2 uk (x)
+ V (x)uk (x) = k 2 uk (x) (44) value given by equation (8).
dx2 So
and behave at infinity as Z Z
X
∗ 1/2
ψ(x) = ci uEi (x) + uE (x)ρ (E)ψ(x)dx
12
1
(e−ikx + S(k)eikx ). (45) ×uE (x)ρ1/2 (E)dE. (51)
2π
related to the m-coefficient, that we shall define later in where uE (x) are eigenfunctions of the operator (53), that
section 3.3.1, by the formula: is,
Recipe 1: d2 uE (x)
− + V (x)uE (x) = EuE (x). (57)
dx2
1
ρ(E) = lim [m(E + i) − m(E − i)]
2πi →0 The normalization of uE (x) is arbitrary, but ρ(E) must
1 be calculated using equation (49).
= lim Im{m(E + i)} , (49) We now sketch how to calculate m(E).
π →0
DOI: http://dx.doi.org/10.1590/1806-9126-RBEF-2019-0099 Revista Brasileira de Ensino de Física, vol. 42, e20190099, 2020
e20190099-6 The normalization of wave functions of the continuous spectrum
First we calculate two eigenfunctions of the operator, So that using equation (49)
uE (x) and γE (x), with Im{E} > 0, such that
1 k
ρ(k) = . (66)
uE (0) = 1, u0E (0) = α (58) π k 2 + α2
Revista Brasileira de Ensino de Física, vol. 42, e20190099, 2020 DOI: http://dx.doi.org/10.1590/1806-9126-RBEF-2019-0099
Amaku et al. e20190099-7
Now we invert (74) and (75) to write Remark 2 Divergent integrals and the delta function
Ai(z) = e uE (x) + f γE (x) (76) In section 3.1 we considered the following integral
Bi(z) = g uE (x) + h γE (x) (77) Z ∞
where sin(k1 x) sin(k2 x)dx (91)
0
e = −F 1/3 (Ai)0 (−F −2/3 E), (78) which in the usual sense is at least dubious. We want to
f = Ai(−F −2/3
E), (79) show that it is in fact equal to π2 δ(k1 − k2 ).
The symbol δ(k1 − k2 ) is a distribution in this case
g = −F 1/3 0
(Bi) (−F −2/3
E), (80) the so-called Dirac Delta Function. A distribution is a
h = Bi(−F −2/3
E). (81) linear functional that when acting on a good function
produces a number. A simple example of a functional
Taking advantage of the fact that the Wronskian of is one generated by a function F (x). In fact, given any
the Airy function is W [Ai(z), Bi(z)] = π −1 , we calculate good function f (x), this functional is given by
a = πF −1/3 Bi(−F −2/3 E), (82) Z ∞
F (x)f (x) = N umber. (92)
b = −πF −1/3
Ai(−F −2/3
E), (83) −∞
0
c = π(Bi) (−F −2/3
E), (84)
A delta function is a functional that acts in a function
d = −π(Ai)0 (−F −2/3 E). (85) as follows.
We now have two functions uE (x) and γE (x) that
Z ∞
satisfy the differential equation (72) and the boundary δ(y − x)f (x) = f (y). (93)
−∞
conditions (58) and (59).
We now must find a linear combination of these solu- Note that there is no ordinary function that generates
tions this functional.
γE (x) + m(E)uE (x) (86) R ∞So, we want to show that the mathematical object
that is square integrable. 0
sin(k1 x) sin(k2 x)dx is a delta function.
This linear combination found by asymptotic analysis That is, we want to show that
(see Dean and Fulling [1]) is 2 ∞
Z
sin(k1 x) sin(k2 x)dx
i (Bi)0 (−F −2/3 E) − (Ai)0 (−F −2/3 E) 1/3 π 0
γE (x)+ F uE (x) .
−i Bi(−F −2/3 E) + Ai(−F −2/3 E) 2 L
Z
(87) = lim sin(k1 x) sin(k2 x)dx (94)
L→∞ π 0
Readers unfamiliar with asymptotic analysis should
consult Wasow [14], Olver [15, p.54] or Mazzitelli et behaves as
al. [16].
2 ∞
Z L
Hence, by Recipe 2,
Z
lim sin(k1 x) sin(k2 x)dxf (k1 ) = f (k2 ).
π 0 L→∞ 0
i (Bi)0 (−F −2/3 E) − (Ai)0 (−F −2/3 E) 1/3 (95)
m(E) = F ,
−i Bi(−F −2/3 E) + Ai(−F −2/3 E) The manipulations carried out in section 3.1 show that
(88)
and, by Recipe 1, 2 ∞
Z
sin(k1 x) sin(k2 x)dx = δ(k1 − k2 ). (96)
h i π 0
ρ(E) = F 1/3 π −2 / Ai2 −F −2/3 E + Bi2 −F −2/3 E .
Another approach to obtain the δ function can be used,
(89)
and this was probably noticed by attentive readers. In
By replacing in equation (52) uE (x) given by equation
this approach, the δ function, δ(x), is defined as limits
(74) and ρ1/2 (E) given by the square root of equation
of sequences that approach a function that is 0 if x 6= 0
(89), we get
and ∞ if x = 0.
One such sequence is
n
uE (x) = πF −1/3 Bi(−F −2/3 E) Ai(−F 1/3 x − F −2/3 E)+
sin(ax)
o
− πF −1/3 Ai(−F −2/3 E) Bi(−F 1/3 x − F −2/3 E) × lim = πδ(x). (97)
a→∞ a
1/6 i−1/2
F h
× Ai2 −F −2/3 E + Bi2 −F −2/3 E , Note that, when k1 → k2 , equation (37) becomes
π
(90)
1 ∗ 1
which completes the solution. C (k1 )C(k2 ) sin[(k1 − k2 )R] (98)
2 k1 − k2
DOI: http://dx.doi.org/10.1590/1806-9126-RBEF-2019-0099 Revista Brasileira de Ensino de Física, vol. 42, e20190099, 2020
e20190099-8 The normalization of wave functions of the continuous spectrum
Acknowledgements
The authors acknowledge partial support from CNPq.
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Revista Brasileira de Ensino de Física, vol. 42, e20190099, 2020 DOI: http://dx.doi.org/10.1590/1806-9126-RBEF-2019-0099