3.

1 WAVEPACKETS

Objective: Find the wavefunction ψ (x,t) of a free particle in one dimension.

Properties that must be satisfied by ψ (x,t):

Ø Normalizable, single valued, smooth, continuous

Ø Complex function that satisfies the time-dependent Schrödinger equation
(TDSE).
Ø Must satisfy the homogeneity requirement
2 2 2
ψ ' ( x, t ) = ψ ( x − a , t ) = ψ ( x , t ) ,
since observables (physical quantities) are independent of the origin of the
coordinates.

TRIAL FUNCTION 1:

Complex harmonic function: ψ ( x, t ) = Ae i ( kx − ω t )

One can show that this trial function satisfies the following requirements:
Ø It is a single valued, smooth and continuous function.
Ø It is a complex function that does satisfy the TDSE.
Ø It does satisfy the homogeneity requirement.
The main problem of this trial function is that it does not satisfy the normalization
condition, i.e.
∞ ∞
* 2
∫ψ ( x, t )ψ ( x, t ) dx = ∫ A dx → ∞ .
−∞ −∞
Therefore, complex harmonic waves do not satisfy the normalization requirement and can
not represent a localized particle.

TRIAL FUNCTION 1:
Construct a spatially-localized function by adding together a large number of harmonic
waves with different wavenumbers and different frequencies:
1 +∞ i ( kx − ω t )
ψ ( x, t ) = ∫ A( k )e dk
2π − ∞
where A(k) is called the amplitude function, or momentum state function.
Notes:
Ø One must add infinite number of plane waves to describe spatially-localized
particle.
 Ø The amplitude function governs the mixture of plane harmonic waves.
Ø Each of the monochromatic waves has a phase velocity vph, defined as a
velocity of constant phase:
dx ω
kx − ω t = θ = const. → kdx = ω dt → v ph = =
dt k
Ø The propagation velocity is the velocity by which the peak of the wavepacket
moves and is called group velocity:
dω hk
v gr = → free particle → v gr = 0
dk k =k m
0

Free particle wavepackets with amplitude function peaked about k=k0 evolve
in such a way that the position of its center changes at a speed identical to that
of a classical particle with same mass and momentum hk 0 . This is a proof of
the correspondence principle.
The next goal is to find the function ψ ( x, t ) that describes free electrons. We will use the
knowledge that we already have for Gaussian functions, for which:

( )
1/ 4
2σ2  h
A( k ) =   exp − (k − k 0 )2 σ2 → p = hk 0 , ∆p =
 π  2σ
 
 1 
1/ 4
 x2 
ψ ( x ,0 ) = 
 
 e ik0 x exp−  → x = 0, ∆x = σ
2πσ2   4σ2 
 
We want to find out what happens to the wavepacket for t>0. For this purpose, we need
to calculate ψ ( x, t ) at t>0:
1/ 4
1 ∞ i ( kx − ω t ) 1 ∞  2σ2   e − ( k − k 0 ) σ e i ( kx − ω t ) dk
2 2
ψ ( x, t ) = ∫A( k )e dk = ∫
2π − ∞ 2π − ∞ 
 π 


) ( )
1 
1/ 4
1  (x − hk0t / m )2 exp ik x − ihk 2t / 2m
= 
 2π  (
σ1 + iht / 2mσ2
exp −
) 
 4 σ 2
(1 + i h t / 2 m σ2



0 0

This result was obtained by first introducing the change of variables u=k-k0 and then
using the following integral:
∞
( 2
∫exp − α u − βu du = ) π
α
( )
exp β2 / 4α .
−∞
The probability for finding the particle at a given point x in space at time t is thus given
by:
  
1/ 2  (x − hk0t / m ) 
2
1  1
P ( x, t ) = ψ * ( x , t )ψ ( x , t ) =   exp −
 2π 
(
σ 1 + ht / 2mσ2
2 
) 2
(
 2σ 1 + ht / 2mσ 

)
2 2 


We also have that:

1 
1/ 2
1  x 2   1 1 / 2 1  x2 
P ( x,0) = ψ * ( x,0)ψ ( x,0) =   exp − =
   exp − 
 2π  σ  2π  ∆x  2(∆x ) 
2 2
 2σ 
  
Comparing these two expressions, we arrive at the following result:

(
σ' (t ) = σ 1 + ht / 2mσ2 )2 → ∆x(t) = ∆x(0) 1 + (ht / 2mσ2 )2 ,
that suggests that the uncertainty in the particle's position increases with time. Since the
integrated probability must be equal to 1, the peak of the wavepacket decreases.
Next, we want to find out the average particle position at some finite time t. By
inspection, one easily arrives at the following result:
hk 0
x (t ) = t = v gr t
m
i.e. the center of the wavepacket moves with the group velocity. The spreading of the
wavepacket is accompanied with decrease in amplitude.
It is straightforward to show that the wavepacket satisfies the TDSE for free particle. This
is left as an exercise to the reader.

3.2 CONSERVATION OF PARTICLES AND PROBABILITY

CURRENT

The TDSE gives us:

Ø the state function ψ ( x, t )
Ø it also allows us to address physical questions about the microworld.
For example, we might ask the following question: Is the total number of particles
conserved, or can a particle be created or destroyed? In probabilistic terms, this question
becomes a query about the position probability density: Is the probability of finding a
particle anywhere in space independent of time?
The answer is the following one: The probability of finding a microscopic particle
anywhere in space does not change with time, i.e. (non-relativistic) particles are neither
created nor destroyed. Mathematically this is represented by:
 d d ∞
P ([− ∞ , ∞ ], t ) = ∫P ( x, t ) dt = 0
dt dt − ∞
Proof:
Start with the definition of the integrated probability density:
d d ∞ d ∞ *
P ([− ∞ , ∞ ], t ) = ∫P ( x, t ) dx = ∫ψ ( x, t )ψ ( x, t ) dx
dt dt − ∞ dt − ∞
∞ ∂ψ * ∂ψ 
= ∫ ψ ( x, t ) + ψ * ( x , t ) dx
−∞  ∂t ∂t 

From the time-dependent Schrödinger wave equation, one has:

∂ψ ih ∂2 ψ i
= − V ( x, t )ψ ( x, t )
∂t 2m ∂x 2 h
∂ψ * ih ∂2 ψ * i
=− + V ( x, t ) ψ * ( x, t )
∂t 2m ∂x 2 h
Substituting these two expressions into our initial expression gives:

d ∞  ih ∂2 ψ * i
P ([− ∞ , ∞ ], t ) = ∫ − ψ + ψ * ( x, t )V ( x, t )ψ ( x, t )
dt −∞ 2m ∂x
2 h
ih * ∂2 ψ i 
+ ψ − ψ * ( x, t )V ( x, t )ψ ( x, t ) dx
2m ∂x 2 h 

ih ∞ ∂ ∂ψ * ∂ψ 
=− ∫  ψ − ψ* dx
2m − ∞ ∂x  ∂x ∂x 
The last result leads to the following two conclusions:
1. The integrated probability density does not depend on time, since
∞
d ih ∂ψ * ∂ψ 
P([− ∞ , ∞ ], t ) = −  ψ ( x, t ) − ψ * ( x, t )  = 0,
dt  ∂x
2m  ∂x 
− ∞
where one uses the fact that for the wavefunction to be a proper wavefunction, it
must vanish at infinity.
2. The second, and more interesting result that comes from the last expression can be
obtained by equating the integrands on the left and on the righ-hand side, which leads
to

∂ *
∂t
( )
ψ ψ =−
ih ∂ ∂ψ *

2m ∂x  ∂
ψ ( x, t ) − ψ * ( x, t )
∂ψ 
∂

 x x 

If one compares the last expression with the continuity equation for electrons, which
in one dimension is of the form
∂n( x, t ) 1 ∂J
= ,
∂t q ∂x
it immediately follows that the quantum-mechanical probability current Jw can be
calculated using:

ihq ∂ψ * ∂ψ 
Jw = −  ψ ( x, t ) − ψ * ( x, t ) .
2m  ∂x ∂x 

Note:
1. The continuity equation is an alternative way of expressing conservation of
particles in the system besides the time-independence of the integrated probability
density.
2. If ψ ( x, t ) is a representation of a single particle, then Jw must be related to the
velocity of that particle. Otherwise, if ψ ( x, t ) represents a large ensemble of
particles, then the actual current is some average current taken over that ensemble.