C.

WAVE PACKETS

C OM M E N T :

Formula (C-10) shows that lt/t(x)I is periodic in x and therefore has a series of
maxima and minima. This arises from the fact that t/t(x) is the superposition of a finite
number of waves (here, three ). For a continuous superposition of an infinite number of
waves, as in formula (C-8), such a phenomenon does not occur, and lt/t(x, O)I can have
only one maximum.

Let us now return to the general wave packet of formula (C-8). Its form also
results from an interference phenomenon : lt/l(x, O)I is maximum when the different
plane waves interfere constructively.
Let rx.(k) be the argument of the function g(k):
g(k ) = lo(k )I ei"<k> (C-12)

Assume that rx.(k )varies sufficiently smoothly within the interval [k 0 - A k , k 0 + Ak J

2 2
where lo(k )1 is appreciable ; then, when Ak is sufficiently small, one can expand rx.(k)
in the neighborhood of k = k 0 :
rx.( k) rx.( k 0) + ( k - k 0)[d rx./d k]k =ko (C-13)

t/l( x, O)
f
which enables us to rewrite (C-8) in the form :
eilkox + :x(koll +"
lo(k)I ei(k -ko)(x -xo) d k (C-14)
J 1n -"
with :
x 0 = - [d rx./d k]k =ko (0·15)

The form (C-14) is useful for studying the variations of 11/J (x, O)I in terms
of x. When lx - x0 I is large, the function of k which is to be integrated oscillates
a very large n umber of times within the interval Ak . We then see (cf fig. 5-a, in
which the real part of this function is depicted ) that the contributions of the
successive oscillations cancel each other out, and the integral over k becomes
negligible. In other words, when x is fixed at a value far from x 0 , the phases of the
various waves which make up t/J (x, O) vary very rapidly in the domain Ak , and these
waves destroy each other by interference. On the other hand, if x x 0 , the
function to be integrated over k oscillates hardly at all ( cf fig. 5-b), and 11/J (x, O)I is
maximum.
The position xM(O) of the center of the wave packet is therefore :
xM(O) = Xo = - [ d rx./ d k]k = ko (C-16)

Actually the result (C-16) can be obtained very simply. An integral such as the one
appearing in (C-8) will be maximum (in absolute value) when the waves having the
largest amplitude (those with k close to k 0) interfere constructively. This occurs when
the k-dependent phases of these waves vary only slightly around k = k 0 • To obtain the
center of the wave packet, one then imposes ( stationar y phase condition) that the
derivative with respect to k of the phase is zero for k = k 0 . In the particular case which
we are studying, the phase of the wave corresponding to k is kx + rx.(k). Therefore,
xM(O) is that value of x for which the derivative x + d rx./d k is zero at k = k 0 •

25
CHAPTER 1 WAVES ANO PARTICLES

/ ,/lg(k)I
I \

a I ' \\ b

\\
\
\
0

I
I
I
I
-- k

1\ I
X - X 1 > _\ I
lx - xol
o LJ k ,_,,
'
FIGURE 5

Variations with respect to k of the function to be lntegrated over k In order to obtaln tf¡( x, O). In
figure (a), x is fixed at a value sucb that lx - x0 1 > l/LJ k, and the function to be integrated oscillates
several times within the interval LJk . In figure (b), x is fixed such that lx - x0 I < l / Ak , and the
function to be lntegrated hardly oscillates, so that its integral over k takes on a relatively large value.
Consequently, the center of the wave packet [point where lt/l(x, O)I is maximum] is situated at
X = X 0•

When x moves away from the value x 0 , 11/J (x, O)I decreases. This decrease
becomes appreciable if ei(k -ko)(x -xo ) oscillates approximately once when k traverses
the domain Ll k, that is, when :
Llk . (x - x 0 ) l (C-17)
If Ax is the approximate width of the wave packet, we therefore have :
Ak . Ax ;<; l (C-18)
We are thus brought back to a classical relation between the widths of two
functions which are Fourier transforms of each other. The important fact is
that the prod uct Ax . Ak has a lower bound ; the exact value of this bound clearly
depends on the precise definition of the widths Ax and Ak.
A wave packet such as (C-7) thus represents the state of a particle whose
probability of presence, at the time t = O, is practically zero outside an interval
of approximate width Ax centered at the value x 0 •

COM M E N T :

The preceding argument could lead one to believe that the product Ax . Ak
is always of the order of I [cf (C-17)]. Let us stress the fact that this is a lower
limit. Although it is impossible to construct wave packets for which the
product Ax . Ak is negligible compared to I , it is perfectly possible to construct
packets for which this product is as large as desired [see, for example,
complement G 1, especially com.ment (ii) of §3-c]. This is why (C-18) is written
in the form of an inequality.

26
 C. WAVE PACKETS

3. Heisenberg uncertainty relation

In quantum mechanics, inequality (C-18) has extremely important physical

consequences. We intend to discuss these now (we shall stay, for simplicity, within
the framework of a one-dimensional model ).
We have seen that a plane wave ei(kox -root) corresponds to a constant proba-
bility density for the particle's presence along the Ox axis, for ali values of t.
This result can be roughly expressed by saying that the corresponding value
of Ax is infinite. On the other hand, only one angular frequency ro0 and one wave
vector k0 are involved. According to the de Broglie relations, this means that the
energy and momentum of the particle are well-defined : E = ñw0 and p = ñk 0 •
Such a plane wave can, moreover, be considered to be a special case of (C-7 ), for
which g(k ) is a « delta function » (appendix 11) :
g(k ) = ó(k - k0 ) (C-19)
The corresponding value of Ak is then zero.
But this property can also be interpreted in the following manner, using the
principie of spectral decomposition ( cf §§ A-3 and B-2). To say that a particle,
described at t = O by the wave function l/J( x, O) = A eikx, has a well-determined
momentum, is to say that a measurement of the momentum at this time will
definitely yield p = ñk . From this we deduce that eikx characterizes the eigenstate
corresponding to p = ñk. Since there exists a plane wave for every real value of k,
the eigenvalues which one can expect to find in a measurement of the momentum
on an arbitrary state include ali real values. In this case, there is no quantization
of the possible results : as in classical mechanics, ali values of the momentum are
allowed.
Now consider formula (C-8). In this formula, l/J (x , O) appears as a linear
superposition of the momentum eigenfunctions in which the coefficient of eikx
is g(k ). We are thus led to interpret i o(k)i 2 (to within a constant factor) as the proba-
bility of finding p = ñk if one measures, at t = O, the momentum of a particle whose
state is described by l/J (x, t ). In reality, the possible values of p, like those of x, form
a contin uous set, and lo( k )12 is proportional to a probability density : the
probability d&>(k ) of obtaining a value between ñk and ñ( k + dk ) is, to within a
constant factor, lo(k ) l 2 dk. More precisely, if we rewrite formula (C-8) in the form :

l/J( x, O) =
V
/
2nñ
f lf(p) eipx/fr dp (C-20)

we know that l/i (p) and l/J (x, O) satisfy the Bessel-Parseval relation (appendix I ) :

f_ ¡.¡/(p)i
00

il/J(x, 0)1 dx 2 2
dp (C-21)

lf the common value of these integrals is C, d&'(x) = 11/J(x, 0)12 dx is the probability
of the particle being found, at t = O, between x and x + dx. In the same way :

(C-22)

27
CHAPTER 1 WAVES ANO PARTICLES

is the probability that the measurement of the momentum will yield a result included
between p and p + dp [relation (C-21 ) then insures that the total probability of
finding any value is indeed equal to 1].
Now let us go back to the inequality (C-18). We can write it as :
Ll x . Llp <: TI (C-23)
( Ltp = ñLl k is the width of the curve representing lt/J(p) 1 ). Consider a particle whose
state is defined by the wave packet (C-20). We know that its position probability
at t = O, is appreciable only within a region of width Llx about x 0 : its position is
known within an uncertainty Ll x. If one measures the momentum of this particle at
the same time, one will find a value between p 0 + and Po - LI[ , since lt/l(P Jl
i 2

is practically zero outside this interval : the uncertainty in the momentum is

therefore Llp. The interpretation of relation (C-23) is then the following : it is
impossible to define at a given time both the position of the particle and its momen-
tum to an arbitrary degree of accuracy. When the lower limit imposed by (C-23)
is reached, increasing the accuracy in the position (decreasing Llx) implies that the
accuracy in the momentum diminishes (Llp increases), and vice versa. This relation
is called the Heisenberg uncertainty relation.
We know of nothing like this in classical mechanics. The limitation expressed
by (C-23) arises from the fact that h is not zero. lt is the very small value of h on the
macroscopic scale which renders this limitation totally negligible in classical
mechanics (an example is discussed in detail in complement B1).

COM M E NT :

The inequality (C-18) with which we started is not an inherently quantum

mechanical principie. It merely expresses a general property of Fourier transforms,
numerous applications of which can be found in classical physics. For example, it is
well known from electromagnetic theory that there exists no train of electromagnetic
waves for which one can define the position and the wavelength with infinite accuracy
at the same time. Quantum mechanics enters in when one associates a wave with a
material particle and requires that the wavelength and the momentwn satisfy de Broglie's
relation.

4. Time evolution of a free wave packet

Until now, we have been concerned only with the form of a wave packet
at a given instant ; in this paragraph, we are going to study its time evolution. Let
us return, therefore, to the case of a free particle whose state is described by the
one-dimensional wave packet (C-7).
A given plane wave ei(kx - "'') propagates along the Ox axis with the velocity :
Q)

V"'(k) = k (C-24)

since it depends on x and t only through (x - t) ; (k ) is called the phase

velocity of the plane wave.

28
 C. WAVE PACKETS

We know that in the case of an electromagnetic wave propagating in a vacuum,

is independent of k and equal to the speed oflight c. All the waves which make up
a wave packet move at the same velocity, so that the packet as a whole also moves
with the same velocity, without changing in shape. On the other hand, we know that
this is not true in a dispersive medium, where the phase velocity is given by :
e
V,ik) = n( k ) (C-25)

n(k ) being the index of the medium, which varies with the wavelength.
The case that we are considering here corresponds to a dispersive medium,
since the phase velocity is equal to [cf equation (C-3)]:

V (k) = (C-26)
"' 2m
We shall see that when the different waves thus have unequal phase velocities, the
velocity of the maximum x M of the wave packet is not the average phase
velocity ;: = , contrary to what one might expect.
As we did before, we shall begin by trying to understand qualitatively what
happens, before taking a more general point of view. Therefore, let us return to
the superposition of three waves considered in § C-2. For arbitrary t, l/l (x, t ) is
given by :

t/J(x, t) = g( {eilkox -wot] + _! e¡[(ko -k)x - (wo -Ll2w}J

v 2n 2

= g(ko) ei(kox-wot) [1 (C-

27)
v12n
We see, therefore, that the maximum of lt/l(x, t)I, which was at x = O at t = O, is
now at the point :
,1(1)
xM(t ) = Ak t (C-28)

and not at the point x =0; t. The physical origin of this result appears in figure 6.
o
Part a) of this figure represents the position at time t = O of three adjacent
maxima (1 ), (2 ), (3), for the real parts of each of the three waves. Since the maxima
denoted by the index (2) coincide at x = O, there is constructive interference at this
point, which thus corresponds to the position of the maximum of ll/J(x, o)¡. Since
the phase velocity increases with k [formula (C-26)], the maximum (3) of the
k
wave ( 0 + k) will gradually catch up with that of the wave (k0 ), which will
in turn catch up with that of the wave( k 0 - A k} After a certain time, we shall thus
2
have the situation shown in figure 6-b : it will be the maxima (3) which coincide and

29
CHAPTER 1 WAVES ANO PARTICLES

thus determine the positíon of the maximum xM( t ) of lt/l(x, t )l. We clearly see
in the figure that xM( t ) is not equal to o t , and a simple calculation again
o
yields (C-28).

Ak 1
ko +2 (1) 1(2) 1(3) 1(1) 1(2) 1 (3)

ko 1(1) 1(2) 1(3) 1(1) 1(2) 1(3)

Ak 1
ko - 2 (1) 1(2) 1(3) 1(1) 1(2) 1(3)
X _¡
ot o
a
xM(O)
t b t
XM(t )

FIGURE 6

Positions of tbe maxima of tbe tbree waves of figure 4 at time t = O (fig. a) and at a subsequent t
(fig. b). At time t = O, it is the maxima (2), situated at x = O, which inteñere constructively : the
position of the center of tlie wave packet is xM(O ) = O. At time t, the three waves have advanced
witb different phase velocities V.,. It is then the maxima (3) which inteñere constructively and tbe
center of the wave packet is situated at x = xM(t ). We thus see that tbe velocity of tbe center of tbe
wave packet (group velocity) is different from the phase velocities of tbe tbree waves.

The shift of the center of the wave packet (C-7) can be found in an analogous
fashion, by applying the " stationary phase " method. It can be seen from the
form (C-7) of the free wave packet that, in order to go from 1/1 (x, O) to 1/1 (x, t ), all
we need to do is change g(k ) to g(k ) e- iro(k)i. The reasoning of § C-2 thus remains
valid, on the condition that we replace the argument rx(k ) of g(k ) by :
rx(k) - w(k)t (C-29)
The condition (C-16) then gives :

x.,(t) - [ !L:- [t.. (C-30)

We are thus brought back to result (C-28) : the velocity of the maximum of
the wave packet is :

Va(k o) = [dw]
dk k =ko
(C-31)

Va (k0 ) is called the group velocity of the wave packet. With the dispersion relation
given in (C-3), we obtain :

(C-32)

30
 D. TIME-INDEPENDENT SCALAR POTENTIAL

This result is important, for it enables us to retrieve the classical description .of the
free particle, for the cases where this description is valid. For example, when one
is dealing with a macroscopic particle (and the example of the dust particle discussed
in complement B 1 shows how small it can be ), the uncertainty relation does not
introduce an observable limit on the accuracy with which its position and momen-
tum are known. This means that we can construct, in order to describe such
a particle in a quantum mechanical way, a wave packet whose characteristic
widths Ax and Ap are negligible. We would then speak, in classical terms, of the
position xM( t ) and the momentum p 0 of the particle. But then its velocity must
be v = Po . This is indeed what is implied by formula (C-32), obtained in the
m
quantum description : in the cases where A x and Ap can both be made negligible,
the maximum of the wave packet moves like a particle which obeys the laws of
classical mechanics.

COM ME N T :

We have stressed here the motion of the center of the free wave packet.
lt is also possible to study the way in which its form evolves in time. lt is then
easy to show that, if the width Ap is a constnt of the motion, Ax varies
over time and, for sufficiently long times, increases without limit (spreading
of the wave packet ). The discussion of this phenomenon is given in
complement G 1, where the special case of a Gaussian wave packet is treated.

D. PARTICLE IN A TIME-INDEPENDENT SCALAR POTENTIAL

We have seen, in § C, how the quantum mechanical description of a particle reduces

to the classical description when Planck's constant h can be considered to be
negligible. In the classical approximation, the wavelike character does not appear
because the wavelength A = !!. associated with the particle is much smaller than
p
the characteristic lengths of its motion. This situation is analogous to the one encoun-
tered in optics. Geometrical optics, which ignores the wavelike properties of light,
constitutes a good approximation when the corresponding wavelength can be
neglected compared to the lengths with which one is concerned. Classical mechanics
thus plays, with respect to quantum mechanics, the same role played by geometrical
optics with respect to wave optics.
In this paragraph, we are going to be concerned with a particle in a time-
independent potential. What we have just said implies that typically quant um
effects (that is, those of wave origin ) should arise when the potential varies
appreciably over distances shorter than the wavelength, which cannot then be
neglected. This is why we are going to study the behavior of a quantum particle
placed in various "square potentials ", that is, "step potentials ", as shown in
figure 7-a. Such a potential, which is discontin uous, clearly varies considerably over
intervals of the order of the wavelength, however small it is : quantum effects must
therefore always appear. Before beginning this investigation, we shall discuss sorne
important properties of the Schrodinger equation when the potential is not time-
dependent.

31
CHAPTER 1 WAVES ANO PARTICLES

1. Separation of va ria bles. Stationa ry states

The wave function of a particle whose potential energy V(r) is not time-
dependent must satisfy the Schrodinger equation :
a ñ1
iñ Ot l/¡(r, t) = - m '11/¡(r, t) + V(r) t/¡(r, t) (D-1)
2

a. EXISTENCE OF STATIONARY STATt:S

Let us see if there exist solutions of this equation of the form :

t/¡(r, t) = <P(r) x(t ) (D-2)

Substituting (D-2) into (D-1 ), we obtain :

iñ <P(r) d;t) = x(t>[ - Li <P(r)J + X(t) V(r) <P( r) (D-3)

lf we divide both sides by the product <P(r )x( t ), we find :

iñ dx(t) 1 [ ñ2 A J V
(D-4)
x(t) dt = <P(r) - 2m <P(r) + (r)

This equation equates a function of t only (left-hand side) and a function of r only
(right-hand side). This equality is only possible if each of these functions is in fact
a constant, which we shall set equ'al to ñw, where w has the dimensions of an
angular frequency.
Setting the left-hand side equal to ñw, we obtain for x( t) a differential
equation which can easily be integrated to give :
X( t) = A e - icot (D-5)
In the same way, <P(r ) must satisfy the equation :
'1i2
- m Li <P(r) + V(r) q>(r) = ñw <P(r) (D-6)
2
If we set A = 1 in equation (D-5) [which is possible if we incorporate, for example,
the constant A in <P(r)], we achieve the following result : the function
t/l(r, t) = <P(r) e- icor (D-7)
is a solution of the Schrodinger equation, on the condition that <P(r) is a solution
of (D-6). The time and space variables are said to have been separated.
A wave function of the form (D-7) is called a sta(ionary solution of the
Schrodinger equation : it leads to a time-independent probability den-
sity lt/l(r, t)j 2 = l<P(r )j2. In a stationary function, only one angular frequency w
appears ; according to the Planck-Einstein relations, a stationary state is a state
with a well-defined energy E = ñw (energy eigenstate ). In classical mechanics, when
the potential energy is time-independent, the total energy is a constant of the
motion ; in quantum mechanics, there exist well-determined energy states.

32
 D. TIME-INDEPENDENT SCALAR POTENTIAL

Equation (D-6) can therefore be written :

[- A + V(r)}p(r) = E <p(r) (D-8)

or :

1 H <p( r) = E cp(r) [ (D-9)

where H is the ditferential operator :

1 H --> + V(r) (D-10)

H is a linear operator since, if A. 1 and A. 2 are constants, we have :

(D-11)

Equation (D-9) is thus the eigenvalue equation of the linear operator H : the
application of H to the « eigenfunction » <p(r ) yields the same function, multiplied
by the corresponding « eigenvalue » E. The allowed energies are therefore the
eigenvalues of the operator H. We shall see later that equation (D-9 ) has square-
integrable solutions <p(r ) only for certain values of E ( cf § D-2-c and § 2-c of
complement H 1) : this is the origin of energy quantization.

COM M E NT :

Equation (D-8) [or (D-9)] is sometimes called the "time-independent Schrodinger

equation ", as opposed to the "time-dependent Schrodinger equation" (D-1 ). We stress
their essential difference : equation (D-1) is a general equation which gives the evolution
of the wave function, whatever the state of the particle ; on the other hand, the eigenvalue
equation (D-9) enables us to find, amongst all the possible states of the particle, those
which are stationary.

b. SUPERPOSITION OF STATIONARY STATES

In order to distinguish between the various possible values of the energy E

(and the corresponding eigenfunctions cp(r)), we label them with an index n.
Thus we have :
(D-12)
and the stationary states of the particle have as wave functions :
l/J,.(r, t ) = <p,.(r ) e- iE"t / ñ (D-13)
l/J,.(r, t ) is a solution of the Schrodinger equation (D-1 ). Since this equation is
linear, it has a whole series of other solutions of the form

(D-14)
11

33
CHAPTER 1 WAVES ANO PARTICLES

where the coefficients en are arbitrary complex constants. In particular, we have :

(D-15)
n

Inversely, assume that we know l/J(r, O), that is, the state of the particle
at t = O. We shall see later that any function l/J(r, O ) can always be decomposed
in terms of eigenfunctions of H, as in (D- l 5). The coefficients en are therefore
determined by l/J(r, O ). The corresponding solution l/J(r, t ) of the Schrodinger
equation is then given by (D-14). All we need to do to obtain it is to multiply each
term of (D-15) by the factor e -iEntltr, where En is the eigenvalue associated with <t>n(r).
We stress the fact that these phase factors differ from one term to another. lt is
only in the case of stationary states that the t-dependence involves only one
exponential [formula (D-13)].

2. One-dimensional "square" potentials.

Qualitative study

We said at the beginning of § D that in order to display quantum effects we

were going to consider potentials which varied considerably over small distances.
We shall limit ourselves here to a qualitative study, so as to concentrate on the
simple physical ideas. A more detailed study is presented in the complements of
this chapter (complement H 1). To simplify the problem, we shall consider a one-
dimensional model, in which the potential energy depends only on x (the
justification for such a model is given in complement F1).

a. PHYSICAL MEANING OF A SQUARE POTENTIAL

We shall consider a one-dimensional problem with a potential of the type

shown in figure 7-a. The Ox axis is divided into a certain number of constant-
potential regions. At the border of two adjacent regions the potential makes an
abrupt jump (discontinuity). Act ually, such a function cannot really represent a
physical potential, which must be continuous. We shall use it to represent schema-
tically a potential energy V(x ) which actually has the shape shown in figure 7-b :
there are no discontin uities, but V ( x ) varies very rapidly in the neighborhood of
certain values of x. When the intervals over which these variations occur are much
smaller than ali other distances involved in the problem (in particular, the wave-
length associated with the particle ), we can replace the true potential by the square
potential of figure 7-a. This is an approximation, which would cease to be valid, for
example, for a particle having too high an energy, whose wavelength would be
very short.
The predictions of classical mechanics concerning the behavior of a particle
in a potential such as that of figure 7 are easy to determine. For example, imagine
that V(x ) is the gravitational potential energy. Figure 7-b then represents the real
profile of the terrain on which the particle moves : the corresponding disconti-
nuities are sharp slopes, separated by horizontal plateaus. Notice that, if we fix the
total energy E of the particle, the domains of the Ox axis where V > E are forbidden
to it (its kinetic energy Ek = E - V must be positive ).

34
 D. TIME-INDEPENDENT SCALAR POTENTIAL

"Square" , _
a
potential

O -· -- ·-·-· ·
-
------ --1 ---------- x

Real
potential b

o -
-·- -1- --+ x
FIGURE 7
Force F
Square potential (fig. a) which
schematically represents a real
potential (fig. b) for which the
force has the shape shown in
figure c.

CO M M E N T :

The force exerted on the particle is F(x) = - d x). In figure 7-c, we

have depicted this force, obtained from the potential V(x ) of figure 7-b. It can
be seen that this particle, in ali the regions where the potential is constan t,
is not subject to any force. Its velocity is then constant. It is only in the
frontier zones between these plateaus that a force acts on the particle and,
depending on the case, accelerates it or slows it down.

b. OPTICAL ANALOGY

We are going to consider the stationary states (§ D-1 ) of a particle in a one-

dimensional "square" potential.
In a region where the potential has a constant value V, the eigenvalue
equation (D-9 ) is written :
J
- ñ2-d2- + V cp(x) = E cp( x) (D-16)
[ 2m dx2

or :

. d2 + 2m ( E - V)] q>(x) = O (D-17)

[dx 2 11 2

Now, in optics, there exists a completely analogous equation. Consider a

transparent medium whose index n depends neither on r nor on time. In this
medium, there can be electromagnetic waves whose electric field E(r, t ) is inde-
pendent of y and z and has the form :
E(r, t) = eE( x) e·· ;ar (D-18)

35