Chapter II

Sectionally Constant Potentials in One-Dimensions

.
The Free Particle:
For free particle we mean that a particle with no force acted upon 
V(x)=constant=0. In classical mechanics this leads to motion with zero
acceleration (motion with constant velocity either to the right or to the left). In
quantum mechanics, the Schrodinger Equation becomes
2 2
   r   E  r  
2
d2 2 2E
2
 r    2
E  r    k 2
 r , k (1)
dx  2
The general solution of Eq.(1) is

 x   Aeikx  Beikx (2)

E
i t
The time-dependent wave function is now given by r , t  e   r 
i ( kx  Et i ( kx  Et
 x, t   Ae
) )
  Be  
 ik ( x  2k t ) ik ( x  2k t )
  x, t   Ae  Be (3) 
Now considering the wave equation

2 1 2 y
 y 2 2
v t
With its solution, the wave function
2
i ( x  vt )
y x, t   Ae  (4)

Comparing Eqs.(3&4) we conclude that

2 So vqun  k  12 vclass
with ( x  k t )  ( x  vt ) k 2
2 
Therefore, it appears that the wave function travels at only half the speed of the
particle that it is supposed to represent. We will return to this problem later.
We can consider that the solution of the free particle problem as representing
two waves:

 eikx a wave propogating to the right


 x   
 ikx
e a wave propogating to the right
The probability current density associated with the two types of the wave
function is

J 

2i

  k
       v
m

The probability current density is equal to the velocity and flows to the right or to
the left (like classical mechanics).
Let us now discuss the quantum-mechanical description of the above wave-
function.
Let us first find the eigen value of the momentum operator. Since [p,H]=0 H &
p share the same eigen-functions. Now operating on the wave function given by
Eq.(3) by the momentum operator we get
  d  ik ( x  2k t ) 
p  x, t    Ae

   k  x, t 
 (5)
i dx  
This means that the eigen-value of the momentum operator is k (De Broglie
relation). That is, the momentum is continuous (since k is continuous), i.e.,
p0. From the uncertainty principle we have x. Which means that the
particle is not localized. The probability to find it at any coordinates is the same.
Again from the wave equation, Eq.(4) we can conclude that k  2   k and
 are reciprocal to each other. Also comparison between Eq.(3) and Eq.(4)
reveals that k p 1
vquantum    2 vclassical
2 2
The two solutions of Eq.(3) can be combined together to get

ik ( x  2k t ) ik ( x  2k t )

  x, t   Ae  Be (3)
i ( kx t ) 2
  x, t   Ae , with   k (6)
2
With k here is : k > 0 corresponding to waves traveling to the right and k < 0
corresponding to waves traveling to the left. Note that we have a degeneracy
here since both waves have the same energy E   2 k 2 2 .

It is clear now that the energy is continuum (not discrete):

The unbound state support continuum spectrum, while bound states
support discrete spectrum.
Another problem comes out when we normalize the wave-function of Eq.(6)
 
 2
   dx  A  dx  
 
That is these wave functions can't represent real particles.
To solve these problems in the solution of the free particle we have to consider
the fact that the superposition of different solutions with different momenta is
also a solution, this superposition has the form

  x, t    Ai ei ( ki xit )
i
Since the momentum is continuous the summation can be replaced by an
integration so that the general solution now reads
1  i ( kx k t )
  x, t     k e dk The wave packet (7 )
2 
1 
For t=0 we have   x,0    k e ikx
dk (8)
2 
Eq.(8) corresponds to a Fourier transform with
1  ikx
 k      x,0 e dx (9)
2 
Adding several waves of different wavelengths together will produce an
interference pattern called wave-packet. This wave packet doesn’t have a
single value of momentum but a range of values, i.e. p0 and so x has now a
definite value. Such a wave is called a Wave Packet.
A wave packet is a localized wave (found only within a certain region of space)
that consists of many super-positioned plane waves with slightly different
momenta.
To interpret the paradox of the velocity we have to remember that the wave
packet is a superposition of many waves. This means that when speaking
about velocity we are not speaking about the phase velocity (vph) but rather
about the group velocity (vg).
Let us consider a wave packet whose Fourier inverse (k) is appreciably
different from zero only in a limited range about ko. Making Taylor expansion of
the function (k) about ko we get
d
 k    ko   k  ko     o  k  ko o  
dk k ko
Substituting for (k) of the last equation into Eq.(7) we get
 1  i ( kx o  k  ko o t )
  x, t      k e dk
2 
Letting s=k-ko the last equation reads
1  iko  s  x o  so t 
  x, t    ko  s e ds
2 
Which can be rewritten as
1 io  koo t  iko  s  x o t 
  x, t   e    k o  s e ds
2 
And at t=0 we get
1  iko  s x 
  x ,0      k o  s e ds
2 
Comparing the last two equations we have

  x, t   eio  koo t   x  o t ,0


(10)
Ignoring the exponential term in front, we see that this describes a wave packet
performing a uniform translational motion, without any change of shape and
with the group velocity
d
v g  o  (11)
dk
While the ordinary phase velocity is given by

v ph  (12)
k
Applying Eq.(11) to our case we have, from Eq.(6)
2
k
 
2
k p
vg  
 
k p
while v ph  
2 2
This confirm that the group velocity of the
wave packet and not the phase velocity that
matches the classical velocity.

It should be noted that the phase velocity is greater than the group velocity in a
normal dispersive medium.
The Potential Step: V
Consider the potential given by
x0 Vo
 0
V x   E
Vo x0
The Schrodinger Equation becomes x

2 2
   r   E   r  x0 
2

d2
2
 r   k   r   0 k  2 E  2 x0 (13)
dx
And
2 2
   r    E  Vo   r  x0 
2
d2
2
 r   q   r   0 q  2  Vo  E   2 x  0 (14)
dx
Case I (E<Vo): The solutions of the last two equations are

reflected wave
Incident wave ikx

 Ae ikx
 Be k  2E x0
 x    (15)

 Ce qx
 De  qx
q  2 Vo  E  x  0

The solution (15) can be given a straightforward interpretation. It represents a

plane wave incident from the left with an amplitude A and a reflected wave that
propagates toward the left with an amplitude B.
From the condition x   0
x 
we conclude that C =0.

From the condition that (x) must be continuous at x=0 then we have

A B  D (16)
Now from the condition that the derivative of (x) must be continuous at x=0
then we have

ik  A  B   qD   A  B   i q D (17)
k
From Eqs.(16&17) we get
 q  q
 A  B   i q  A  B   A1  i   B1  i  
k  k  k
B  q  q
  1  i  1  i  (18)
A  k  k

 q
Now adding Eqs.(16&17) we get 2 A  1  i  D 
 k
D  q
2  1  i  (19)
A  k
i
Now since any complex number can be written as z  re , then eq.(18) can
be written as
 e i
B
(20)
A
D
And Eq.(19) becomes  1  e i (21)
A
Substituting Eqs.(20&21) back in eq.(15) we get
  i 2  i 2 ikx i
2 e ikx 
 Ae  e e  e  x0
x      
i  i i
 Ae 2  e 2  e 2 e  qx x0
  
 i 
2 cos kx  
 2 Ae   x0
  x    i  2 (22)

 Ae 2 cos e  qx x0
 2
J
Now the reflection coefficient is  r
Ji

 A A

2
   k A
J in  in in  in in  ik  ik  
2i 2i 

 B  B

2
   k B
J ref  ref ref  ref ref   ik  ik  
2i 2i 
2
J B
Now from Eq.20 we have  r  1
Ji A
The reflection coefficient equals to one, that is, the reflection is total
Even though the reflection is total and no transmission, there is still some
probability to find the particle in the region of x > 0. To find it we have from
eq.(22)

A 2 cos 2  2 A2  cos 2  2
A cos  2  e
2 2  2 qx
dx  
0 2q 2 2 Vo  E 

This means that there is a finite probability of finding the particle in this region
contrary to the classical picture (tunneling). Note that if the height of the step is
too large (Vo) this probability vanish, as expected for classical case.

Plotting the wave

function of Eq.(22)
we get
Case II: E >Vo
In this case and for q to be real, Eq.(13&14) now becomes
d2
2
 r   k   r   0 k  2 E  2 x0 (13)
dx
d2
2
 r   q   r   0 q  2   E  Vo   2 x  0 (14)
dx
with the solutions now becomes
Incident wave reflected wave
 ik1x
 Ae ik1x
 Be k1  2E x0
x    (23)
ik 2 x

Ce ik 2 x
 De k 2  2 E  Vo  x  0
Reflected wave
Transmitted wave (not acceptable)

Since De ik2 x represents a wave coming from the right, and there is no such a
wave we conclude that D=0.
From the condition that (x) must be continuous at x=0 then we have
A B  C (24)
Now from the condition that the derivative of (x) must be continuous at x=0
then we have
k1  A  B   k 2C (25)
Solving Eqs.(24&25) we get

B A  k1  k 2  k1  k 2  (26)

C A  2k 2 k1  k 2  (27)

The reflection coefficient, R, is now

2 2
Jr B k k 
    1 2  (28)
Ji A  k1  k 2 
And the transmission coefficient, T, is
J t k2 C 2 4k1k 2
T    (29)
J i k1 A k1  k 2 2
It is easy, from eqs.(28&29), to verify that R + T =1.
The result of Eq.(28) tells that we have a reflection even though E  V0 . This is
also a non-classical result (tunneling effect).

Recalling that k1  2E and k 2  2 E  Vo 

It clear that, for E  V0, k1=k2 and so, from eqs.(28&29) we have T =1, R=0, as
expected classically.
The Rectangular Potential Barrier:
Consider the potential given by
0 a  x  a

V x  
Vo a  x a
The Schrodinger equation becomes

2 2
   r   E  r  a  x  a (30)
2
2 2
  r   E  Vo  r  a  x  a (31)
2

d2
2
  x   k 2
  x   0, k  2 E  a  x  a (30)
dx
d2
2
  x   q  x   0, q  2  Vo  E   a  x  a (31)
dx
The general solutions of Eqs.(30&31) are
 Incident wave reflected wave
 Ae ikx  Be ikx k  2 E x  a


  x    Ce  qx  De qx q  2  Vo  E   a  x  a (32)
 ikx ikx
 Fe  Ge k  2 E xa

Reflected wave
Transmitted wave (not acceptable)

From the condition that (x) and its derivative must be continuous at x=-a then
we have
Ae ika  Beika  Ce qa  Be qa
(33)
  
ik Ae ika  Beika  q  Ce qa  Be qa 
Adding and subtracting the two parts of Eq.(33) we get, respectively
 iq   iq 
2 Ae ika  C 1  e qa  D1  e qa
 k  k
 iq   iq 
2 Be ika  C 1  e qa  D1  e qa
 k  k
The linear relationship between the constants A,B,C, and D given by the above
two equations can be expressed in a matrix form as
  iq  qa ika   iq  qa ika  
 A  1  e 1  e  C 
   1  k   k   (34)
  2   iq  qa ika   iq  qa ika   
 B  1  e 1  e  D 
 k   k 
 Ae ikx  Be ikx k  2 E x  a


  x    Ce  qx  De qx q  2  Vo  E   a  x  a (32)
 ikx ikx
 Fe  Ge k  2 E xa

Similarly, from the condition that (x) and its derivative must be continuous at
x=a we obtain
Ce  qa  De qa  Fe ika  Ge ika
  
q  Ce  qa  De qa  ik Fe ika  Ge ika 
Subtracting and adding the above two equations we get
  qa  ik  ika  ik  ika
2Ce  F 1  e  G1  e
 q  q
 ik  ika
 qa  ik  ika
2 De  F 1  e  G1  e
 q  q
  ik  qa ika   ik  qa ika  
 1  e 1  e  F
C   
   1  q   q
(35)
 D  2   ik   qa ika   ik   qa ika   G 
   1  e 1  e  
 q   q 
Substituting Eq.(35) into Eq.(34) we get

 A  eqa ika  eqa ika   eqa ika eqa ika  F 

   1    
  4   qa ika   
 
 B  e
 eqa ika  eqa ika  eqa ika  G 

 A
   1
 
  e 2qa   e 2qa e 2ika e2qa    e2qa   F 
  4    (36)
 B 
   e 2qa  e 2qa
   e   e e  
 2qa   2qa  2ika  G 
With  and  are defined as
iq  ik   q k 
  1  1    i    i          i
 k  q   k q 

   1 

iq  ik 
1 
k  q 
  2  i
q k 
    2  i
k q
    2  i
     

With aid of the above 4-equations Eq.(36) becomes

 A
   1
 
 2  i e 2qa  2  i e  2qa e 2ika ie 2qa  ie 2qa   F 
 
 B 4 
    
i  e 2 qa
 i  e 
 2 qa
 
2  i e 2qa  2  i e 2qa e 2ika  G 

 
 
 A   cosh 2qa  i2 sinh 2qa e 2ika
i
2
sinh 2 qa  F 
 
(37)
 B  
  
i
 2 sinh 2qa   
cosh 2qa  i2 sinh 2qa e  2ika  G 

Since G is the amplitude of the wave travelling to the left which is not
acceptable for our case in the region x>a G=0. In this case we have, from
Eq.(37)
  
A  cosh 2qa  i2 sinh 2qa e 2ika F 

F e  2ika


A cosh 2qa  i sinh 2qa
2
 (38)

The transmission coefficient is now

2 Vo  E 
J F
2
q
T  t  
Ji A

Which is not zero as it clear from Eq.(38) in contrary to what classical

mechanics predicts.
In the limit of very high and wide barrier such that qa >>1, we have
e qa
cosh qa  sinh qa  
2

F e 2ikae 2qa
 
A 2
1  i
4

 J t F 2 16e  4qa
T   
Ji A 4 2

2 Vo  E 
2 2
q k q k
Noting that 2  2         4  q
k q k q 

 4 qa 2
16e  4 qa  kq 
T   16e  k 2  q2  (39)
 2
 
It is clear now, from Eq.(39), that T decays exponentially. If Vo→∞ (q→∞), then
T =0 as expected (the classical limit).
It is left as an exercise to show that at this limit the reflection coefficient
2
J B
R r  1
Ji A
The Square Well: V
Consider the potential given by
-a a x
 0 a  x  a

V x  
 Vo a  x a

The Schrodinger equation becomes

2 2 -Vo
   r   E  r  a  x  a 
2
d2
2
  x   q 2
  x   0, q   2 E  a  x  a (40)
dx
2 2
   r    E  Vo   r  a  x  a 
2
d2
2
  x   k 2
  x   0, k  2   E  Vo   a  x  a (41)
dx
Considering the bound case with –Vo<E<0, The general solutions of
Eqs.(40&41) are
  Ae qx  Be  qx q   2 E x  a

 ikx
  x   Ce  Deikx k  2  Vo  E   a  x  a (42)

 Fe qx  Ge  qx q   2 E xa



From the condition that   x    
 0 we conclude that B=0, and from the
x 

condition that   x   0
x 
 we conclude that F=0.

The general solutions Eq.(42) now reduced to

 Ae qx q   2 E x  a

 ikx
  x   Ce  Deikx k  2  Vo  E   a  x  a (43)

 Ge  qx q   2 E xa


Since the potential is symmetric we have either even or odd solutions. For even
solutions we have
  Ae qx x  a


  x   C cos kx a  x a (44)

 Ae  qx xa

From the condition that (x) and its
derivative must be continuous at x=-a
then we have
Ae  qa  C cos ka (45)

Aqeqa  Ck sin ka (46)

Dividing Eq.(46) by Eq.(45) we get

q  k tan ka (47)

To solve Eq.(47) we let

2Vo a 2
  ka &   2
(48)

Now from Eq.(42) we have
 q   2E , k  2 Vo  E 
2 2 Vo  E  2E 2Vo  2
2
k q     
2 2 2
   a2
a 2k 2  a 2q 2   2  a 2q 2   2   2

Eq.(47) now becomes

aq 2  2
tan ka   tan     tan    2   2 (49)
ak 2

Eq.(49) is a transcendental equation which can be solved numerically or

graphically by plotting f     tan  & f     2   2 on the same graph and
looking for point of intersections.
Note that the second function represents a circle with radius . The deeper the
well, the larger Vo, the larger the radius  of the circle, thus there will be more
intersections with the trigonometric functions and so more bound states.
For Vo→∞, the radius of the circle function tends to infinity, intersecting the
trigonometric functions at the asymptotes   2 n  1.
1
So we have from
Eq.(48) and Eq.(42)
 2Vo a 2
  ka &   2
(48)


f       tan 
f       2   2


 2 E  Vo 
  ka  12 n  1  2
a

 2 2
E  Vo  n  12
(50)
2 2a  2

The left-hand side of this expression, E + Vo ,

is the distance in energy from the bottom of
the well and represents the kinetic energy of
the particle in the well, and the right-hand side
represents the infinite-well results.
Since E → - ∞ as Vo → ∞, it follows that q → ∞; therefore, from Eq.(43), the
wave function itself must vanish outside the well and at the endpoints x = ±a.
For the odd solution we will have
For the odd solution we will have

  cot    2   2 (51)