Lecture Slides For Chapter 6

Chapter 6
The Schrdinger Equation

PHYS 2410
Stephens
Fall 2014
PHYS 2410 Stephens Chapter 6 Fall 2014 1 / 67
Following the success of de Broglies matter wave hypothesis, Erwin Schrdinger
developed an differential equation that describes the time evolution of such a
matter wave in 1926.
This model is called wave mechanics.
Heisenberg had already presented another theory involving innite matrices to
explain atomic phenomena.
This model is called matrix mechanics.
Although completely different on the surface, Schrdinger later proved that they
are mathematically equivalent.
Since Heisenbergs theory appears from applying Schrdingers wave mechanics,
we will concentrate on Schrdingers model (plus it is less abstract).
The theory is now called quantummechanics.
6.1 The Schrdinger Equation in One Dimension
The Schrdinger Equation in One Dimension
Although Schrdinger developed his now-famous equation, it can not be
derived.
Much like Newtons laws of motion cant be derived.
Rather, the theory is presented and left to experimenters to validate it.
As such, we will provide a heuristic argument.
Recall that a wave equation can be derived for the electric eld from Maxwells
equations:
2
E
t
2
=
1
c
2
2
E
t
2
. (6.1)
Taking the solution as E(x, t) =E
0
cos(kxt), we can show that
k
2
=
2
c
2
=kc. (6.2)
6.1 The Schrdinger Equation in One Dimension
The Schrdinger Equation in One Dimension
contd
The total energy for a non-relativistic particle is
E =
p
2
2m
+V. (6.4)
Using =E/ and p =k for electromagnetic radiation, we can write
=

2
k
2
2m
+V. (6.5)
This differs from the similar expression for a photon, E ==pc =kc,
because 1) of the presence of the potential V and 2) that does not depend
linearly on k.
So we should expect the rst time derivative (where comes from) to be related
to the second spatial derivative (where k
2
comes from).
6.1 The Schrdinger Equation in One Dimension The Schrdinger Equation
The time-dependent Schrdinger equation is
Time-ependent Schrdinger equation

2
2m
2
(x, t)
x
2
+V(x, t)(x, t) =i
(x, t)
t
. (6.6)
To begin, we assume a constant potential energy: V(x, t) =V
0
.
Because the rst derivative of an exponential function is proportional to its
second derivative, a possible solution is
(x, t) =Ae
i(kxt)
=A[cos(kxt) +i sin(kxt)] . (6.7)
Inserting this expression into Eq. 6-6, we obtain Eq. 6-5:
2
k
2
2m
+V
0
=.
contd
There are two signicant differences between the Schrdinger equation and the
classical wave equation.
Schrdingers equation involves the imaginary number i =
1, implying that the wave

function is not necessarily a real function.
The classical wave equation has a second-order time derivative while the Schrdinger
equation has a rst-order time derivative.
This implies that the Schrdinger equation is more like a diffusion equation than a wave
equation.
(x, t), along with the term wave function, is also called the probability density
amplitude or just probability amplitude.
The probability density is given as
Probability density
P(x, t) dx =
(x, t)(x, t) dx =(x, t)

2
dx. (6.8)
contd
By convention, we normalize the wave function so that we have absolute
certainty that it will be measured somewhere within the problems domain.
In general, we know that we must nd the electron somewhere in space, so we
normalize the wave function according to
Normalization condition
_
dx =1. (6.9)
This is called the normalization condition.
This condition has signicant implications on our solutions to Schrdingers
equation.
The solution must be convergent-enough to satisfy the normalization condition.
In other words, the wave function cannot diverge anywhere within the problem
domain.
6.1 The Schrdinger Equation in One Dimension Separation of the Time and Space Dependencies of (x, t)
Separation of the Time & Space Dependence of (x, t)
A common approach to solving differential equations resembling the
Schrdinger equation is called separation of variables.
This involves separating the spatial and temporal dependencies of the wave
function into different functions.
The spatial part was referred to as a stationary state because it lacked
time-dependence.
A synonym for a stationary state is an eigenstate (eigen- is German for particular,
characterstic, etc.).
So lets write the wave function as
(x, t) =(x)(t). (6.10)
contd
Substituting this into the Schrdinger equation gives

2
2m
1
(x)
d
2
(x)
dx
2
+V(x) =i
1
(t)
d(t)
dt
. (6.13)
The left side depends only on x and the right side depends only on t.
The only way they can be equal for all values of x and t is if the left and right sides
are constants.
This gives

2
2m
1
(x)
d
2
(x)
dx
2
+V(x) =C. (6.14)
i
1
(t)
d(t)
dt
=C. (6.15)
contd
The time-dependent equation can be written as
d(t)
(t)
=
C
i
dt =
iC
dt. (6.16)
Integrating each side give
(t) =e
iCt/
=cos
_
2
Ct
_
i sin
_
2
Ct
_
. (6.17b)
So (t) describes oscillatory behavior at a frequency f =C/h.
From the de Broglie relation, we know that f =E/h.
So the time-dependent part of the wave function is
Time-dependent solution
(t) =e
iEt/
. (6.17c)
contd
Using C =E, the space-dependent differential equation is called the
time-independent Schrdinger equation:
Time-independent Schrdinger equation

2
2m
d
2
(x)
dx
2
+V(x)(x) =E(x). (6.18)
The probability density can be written as
(x, t)(x, t) =
_
(x)e
+iEt/
__
(x)e
iEt/
_
=
(x)(x). (6.19)
So the normalization condition becomes
_
+
(x)(x) dx =1. (6.20)

6.1 The Schrdinger Equation in One Dimension Conditions for Acceptable Wave Functions
Conditions for Acceptable Wave Functions
The exact form of the wave function (x) depends on the nature of the potential
energy V(x).
But must be a physically viable wave function.
Regions for which V(x) is constant lead to the simplest solutions so we tend to
analyze these situations.
But to keep things interesting, we might let V(x) assume different constant values
in different regions.
So V(x) might be discontinuous at the boundary between two regions.
To solve these problems, we solve Schrdingers equation in each region and
then match the solutions across the boundary.
6.1 The Schrdinger Equation in One Dimension Conditions for Acceptable Wave Functions
Conditions for Acceptable Wave Functions
contd
It is unphysical for the probability of nding the particle to vary discontinuously
so the wave function must be a continuous function.
Since Schrdingers equation involves a second spatial derivative, the wave
function and its slope must be differentiable the wave functions slope must be
continuous.
The wave function must be normalizable the wave function and its derivative
must be nite-valued and must tend to zero at innity.
Here is a summary of the conditions on a wave function:
Conditions wave function must satisfy
(x) must exist and satisfy the Schrdinger equation.
(x) & d(x)/dx must be continuous.
(x) & d(x)/dx must be nite and single-valued.
lim
x
(x) =0 so that (x) can be normalized.
6.2 The Innite Square Well
The Innite Square Well
The simplest problem that illustrates the nature of quantum mechanics and
Schrdingers equation is referred to as the innite square well.
The potential is described mathematically as
V(x) =
_
0, 0 <x <L,
, x <0 and x >L.
(6.21)
This problem could also be described as a bead on a nite string or
an electron caught between two electrodes in an evacuated tube.
Since the potential energy is innite at the boundary, the particle cannot travel
outside of the box since there is an innite force acting on it at x =0 and x =L
recall that F =dV/dx.
contd
Keeping in mind Borns probabilistic interpretation, this means the probability of
nding the particle must go to zero as we approach the box walls, i.e.,
(0) =(L) =0.
In line with de Broglies hypothesis, the wave function must resemble a standing
wave.
This means that an integral number of half-wavelengths must t into the length L:
n
2
=L, n =1, 2, 3. . . (6.22)
Because the particle is free inside the box its kinetic energy is
E =
p
2
2m
=
h
2
2m
2
=n
2
h
2
8mL
2
. (6.23)
contd
It is customary to write
E
n
=n
2

2
2
2mL
2
=n
2
E
1
, n =1, 2, 3, . . . (6.24)
Here, the lowest allowed energy is given by
E
1
=

2
2
2mL
2
(6.25)
contd
To force our solution of Schrdingers equation to describe this problem, we
need to incorporate this feature into the wave function.
Since we have a condition on the wave function at the domain boundary, this
condition is called a boundary condition.
Namely, we need to have (0) =0 and (L) =0.
So we need to nd the wave function that satises

2
2m
d
2
(x)
dx
2
=E(x)
(x) =
2mE
2
(x) =k
2
(x). (6.26)
Here, we substituted the square of the wavenumber:
k
2
=
_
p
_
2
=
2mE
2
. (6.27)
contd
Eq. (6.26) has the standard solutions
(x) =A sinkx (6.28a)
(x) =B coskx. (6.28b)
We now enforce the boundary conditions (0) =(L) =0.
cos0 =1, so it does not satisfy our boundary conditions and is discarded.
sin0 =0, this is the form for our wave function.
So we have
(L) =A sinkL =0. (6.29)
Recall that sin is zero for integral multiples of .
contd
So we have, where n is a positive integer (n Z
+
)
kL =n k
n
=
n
L
. (6.30)
Since we have k
2
=2mE/
2
, knowing the wavenumber
is equivalent to knowing the energy:
E
n
=

2
k
2
n
2m
=n
2

2
2
2mL
2
=n
2
E
1
.
In order to speak of the particles probability, we need to normalize the wave
function:
_
L
0
n
dx =
_
L
0
A
2
n
sin
2
_
nx
L
_
dx =1 A=
_
2
L
. (6.31)
contd
So our solution is
n
(x) =
_
2
L
sin
nx
L
(6.32)
Here are plots of the
probability amplitude
and probability for the
rst three levels
n is called a quantum
number.
It species the energy
and wave function for
a state n.
6.2 The Innite Square Well Comparison with Classical Results
Comparison with Classical Results
Since we know the potential energy V(x), we can nd the force F
x
=dV/dx and
thereby the acceleration a
x
=d
2
x/dt
2
experienced by the particle and its
resulting motion x(t).
But there is no force on the particle between the walls since V =0.
So the particle must move with constant speed as it travels from one side of the
box to the other.
Classically, any speed and energy are allowed but we have limits on the energy E
because of the quantum number n.
The quantum number entered the problem because of the boundary conditions placed
on (x).
We will see later that a boundary condition on a degree of freedom involves a unique
quantum number, i.e., the hydrogen atom has three quantum numbers since it is 3D.
6.2 The Innite Square Well Comparison with Classical Results
Comparison with Classical Results
The classical probability distribution to nd the particle at some location x inside
the box is proportional to the particles speed and the size of the box:
P
Cl
(x) =
1
L
.
Quantum mechanically, the probability is
n
(x)
2
=
n
(x)
2
=
1
L
.
This gure shows a comparison
between the classical and quantum
mechanical distributions for a particle
in the n =10 state.
6.2 The Innite Square Well The Complete Wave Function
The Complete Wave Function
Recall that weve only considered the time-independent Schrdinger equation in
the above analysis of the innite square well.
Incorporating the time-dependence, with E
n
=
n
, the complete wave function
is
(x, t) =(x)(t) =
_
2
L
sin(k
n
x) e
i
n
t
.
Using the Euler relation 2i sinz =e
iz
e
iz
, we can write this as
n
(x, t) =
1
2i
_
2
L
_
e
i(k
n
x
n
t)
e
i(k
n
x
n
t)
_
.
So the standing wave pattern of the particle in the box is analogous to a standing
wave on a string it is composed of oppositely moving, traveling waves.
Example 6-2
An Electron in a Wire
An electron moving in a thin metal wire is a reasonable approximation of a particle
in a one-dimensional innite well. The potential inside the wire is constan on
average but rises sharply at each end. Suppose the electron is in a wire 1.0 cm long.
(a) Compute the ground-state energy for the electron. (b) If the electrons energy is
equal to the average kinetic energy of the molecules in a gas at T =300 K, about
0.3 eV, what is the electrons quantum number n?
Example 6-2 Solution
An Electron in a Wire
The ground-state energy is
E
1
=

2
(1.05510
34
Js)
2
2(9.109410
31
kg)(10
2
m)
2
E1 =3.89 feV.
The quantum number is determined fromE
n
=n
2
E
1
to be
n =
_
E
n
E
1
=
_
0.3 eV
3.810
15
eV
n 2.8110
6
.
This is sufciently large for the realm of classical mechanics.
Example 6-3
Calculating Probabilities
Suppose that the electron in Example 6-2 could be measured while in its ground
state. (a) What would be the probability of nding it somewhere in the region
0 <x <L/4? (b) What would be the probability of nding it in a very narrow region
x =0.01L wide centered at x =5L/8?
Calculating Probabilities
The wave function in the ground state is
1
(x) =
_
2
L
sin(x/L).
The probability of nding it in x [0, L/4] is
_
L/4
0
P
1
(x) dx =
_
L/4
0
2
L
sin
2
x
L
dx =
2
8

1
4
_
0.091.
The probability of nding it in x [
5
8
Lx,
5
8
L+x] can be approximated by
(since x 1)
P =P(x)x =
2
L
sin
2
x
L
x 0.017.
Example 6-4
An Electron in an Atomic Size Box
(a) Find the energy in the ground state of an electron conned to a
one-dimensional box of length L =0.1 nm. (This box is roughly the size of an atom.)
(b) Make an energy-level diagram and nd the wavelengths of the photons emitted
for all transitions beginning at state n =3 or less an ending at a lower energy state.
An Electron in an Atomic Size Box
Using E
1
=n
2
h
2
/8mL
2
, we nd
E
1
=37.6 eV.
The energies are shown in the gure.
The transition wavelengths are found
from
mn
=hc/E
mn
.
32
=6.60 nm.
31
=4.12 nm.
21
=11.0 nm.
6.3 The Finite Square Well
The Finite Square Well
Quantization occurs by enforcing a constraint on the system.
The innite square well had quantized energy levels because of the constraint of
placing the particle in the box.
Here is another common
potential energy function,
known as the nite square
well.
Since the potential energy is nite, the particle could be found outside the well.
If E >V
0
, the particle is not conned and the energy is not quantized although the
particles motion is position dependent.
We consider E <V
0
, where the particle is conned to the well and the energy will be
quantized.
contd
Inside the well, V(x) =0 so that Schrdingers equation reduces to
(x) =k
2
(x) k
2
=
2mE
2
.
Outside the well, for 0 >x >L, Schrdingers equation is
(x) =
2m
2
(V
0
E) (x) =
2
(x) (6.33)
2
=
2m
2
(V
0
E) >0. (6.34)
We can nd the solution for each region (e
ikx
inside and e
x
outside) and
enforce the matching conditions (continuity of and
) but nding the energy

levels requires solving a transcendental equation.
contd
We still need to enforce some other necessary conditions on the DE solutions for
them to be viable wave functions.
Firstly, we need 0 when x .
Examining Eq. (6.33) shows that outside the well
has the same sign as the

function .
Remember that the second derivative yields the curvature of the function.
This means that when >0 then
>0,
Figure (a), or when <0 then
<0,
Figure (b).
This means that the solutions to Schrdingers equation outside the well are not
necessarily well-behaved since they diverge at innity and cannot be wave
functions.
contd
But inside the well, we have
, so the function always bends toward the x

axis.
When the function is positive (negative), the curvature is negative (positive) like sine
or cosine.
So the function is oscillatory.
Here is a plot of a satisfactory wave function with wavelength
1
and two other
solutions to Schrdingers equation with similar wavelengths.
For >
1
, +as x increases.
For <
1
, as x increases.
Thus, appropriate wave functions are found by
ensuring the wave function remains nite.
contd
Here are plots of the wave function for a nite square well.
Notice that the wave function extends
beyond the limits of the well.
So the wavelength for each state in the
nite well are larger than the
corresponding wavelength for the
innite square well of the same width.
This implies that the energy of a given level in the nite well is slightly smaller
than the energy in the innite square well.
Also, there is a nite probability of nding the particle outside well contrary to
the predictions of classical physics.
contd
But if the particle can exist outside of the well, the total energy is less than the
potential energy implying a negative kinetic energy.
This would be a terrible blow the QM, but the uncertainty principle saves the day.
The probability decreases as
2
e
2x
beyond the well and becomes quite small
within a distance on the order x
1
.
Take (x) to be negligible beyond the position x =L+
1
.
This means that nding the particle outside the box is equivalent to nding it within a
region x
1
.
The momentum uncertainty would then be on the order of p h/x =h.
This corresponds to a kinetic energy
_
p
_
2
/2mh
2
2
/2m=V
0
E.
This is just enough uncertainty to prevent us from measuring a negative kinetic energy.
contd
What if the potential energy is not constant but depends on x?
Here is a potential energy curve similar to that experienced by
an electron in a solid.
Inside the well where
(x) =k
2
(x), the wave number would
be written as k
2
=2m[E V(x)] /
2
and would also be position
dependent.
The solutions are now complicated, special transcendental functions, but we
could apply the same arguments to ascertain proper wave functions.
Take the Math Methods course and learn about them.
6.4 Expectation Values and Operators Expectation Values
Expectation Values
So far in our development of QM, all we can determine about a system is the
probability of nding the particle at a certain location.
To be a good physical theory, it needs to be able to predict the values of various
physical quantities that we might measure in an experiment.
Where will we nd the particle? Whats the particles energy? Whats the particles speed?
etc.
Since QM deals with the probability distribution associated with the wave
function, we need to incorporate some probability theory into QM.
Expectation Values
contd
The expectation value of a quantity is the average value that we would expect to
obtain from measuring the quantity for a large number of particles with identical
wave functions.
The expectation value of x
x =
_
+
(x, t)x(x, t) dx (6.44)

is the average value of x we would expect performing a large number of
measurements on identical systems.
For a state with denite energy,
.
If the state depends on time, we must use rather than .
Expectation Values
contd
If f (x) is some physical quantity, its expectation value is
Expectation value
f (x) =
_
+
(x, t)f (x)(x, t) dx. (6.46)

For the innite square well of width L,
x
2
=
L
2
3

L
2
2n
2
2
. (6.47)
Note that the expectation value does not tell you the value you will obtain from
your measurement, but the average value you would obtain if you made the
measurement many times on identically-prepared systems.
6.4 Expectation Values and Operators Operators
Operators
Recall that we developed the Schrdinger equation by making the analogy
between
p
2
2m
+V =E and

2
2m
d
2
dx
2
+V(x) =E.
This implies that p
2
2
d
2
/dx
2
, i.e., that momentum is an operator of position.
The momentum expectation value is determined from
p =
_
+
x
_
dx (6.48)
The form of the momentumoperator in one-dimension is
p
op
=i
d
dx
. (6.49)
Example 6-5
Expectation value for p and p
2
Find p and p
2
for the ground-state wave function of the innite square well.
(Before we calculate them, what do you think the results will be?)
Expectation value for p and p
2
We have p
op
=id/dx and
1
(x) =
2/L sin(x/L).
p =
_
L
0
1
(x)p
op
1
(x) dx =
2i
L
_
L
0
sin
x
L
_
L
cos
x
L
_
dx =0.
For p
2
,
p
2
=
_
L
0
1
(x)p
op
1
(x) dx =
2
2
L
_
L
0
sin
x
L
_
2
L
2
sin
x
L
_
dx
=

2
2
L
2
_
L
0
2
L
sin
2
x
L
dx =

2
2
L
2
=
2
k
2
1
.
Operators
contd
In classical mechanics, when the total energy is written in terms of the position,
x, and momentum variables, p, it is called the Hamiltonian function,
H =p
2
/2m+V.
If we use p
op
in the Hamiltonian, we can develop the quantum mechanical
Hamiltonian operator:
H
op
=
p
2
op
2m
+V(x). (6.51)
Using this, Schrdingers time-independent equation can be expressed as
H
op
=E. (6.52)
This formal notation is useful when dealing with more complicated problems.
Operators
contd
Here is Table 6-1 from the text, illustrating some common quantum mechanical
operators.
6.5 The Simple Harmonic Oscillator
The Simple Harmonic Oscillator
The quantum mechanical analogue to the classical mass-on-a-spring is the
simple harmonic oscillator:
V(x) =
1
2
Kx
2
=
1
2
m
2
x
2
.
Here K is the force constant and the angular frequency of
vibration dened by
2
=K/m=2f .
In the classical problem, the particle can have zero energy if it is
at x =0 with zero velocity.
A marks the classical turning point.
Schrdingers equation for the SHO is

2
2m
d
2
(x)
dx
2
+
1
2
m
2
x
2
(x) =E(x). (6.55)
contd
Since the PE is symmetric, we should expect the probability distribution to be
symmetric, that is
(x)
2
=(x)
2
.
Since could be complex, we need to be careful how we interpret being symmetrical.
Contrary to real functions where we could write f (x) =f (x) (which would be called an
even function), the symmetric enforcement is on
2
not on .
So the wave function is either symmetric (even) (x) =+(x) or
anti-symmetric (odd) (x) =(x).
This realization means we can concentrate on the problem for x >0.
contd
As for the nite square well, consider the curvature to a certain energy E:
(x) =k
2
(x) where k
2
=
2m
2
[E V(x)] .
For x <A, we know that k
2
<0 and the wave function curves toward the x-axis
it is oscillatory.
Beyond A, k
2
>0 and the wave function curves away from the x-axis it could
be divergent.
Only for certain values of E, given by
E
n
=
_
n+
1
2
_
n =0, 1, 2, . . . , (6.56)
will the solution to the DE provide a viable wave function.
The ground state has energy E
0
=
1
2
.
The energy difference between adjacent levels is xed and equals .
Here are plots of the rst three SHO wave
functions.
0
(x) =A
0
e
mx
2
/2
1
(x) =A
1
_
m
xe
mx
2
/2
(6.58)
2
(x) =A
2
_
1
2mx
2
_
e
mx
2
/2
Notice that
n
is an even function if n E and an odd function if n O.
The general expression for the wave function of the n-th level is
n
(x) =C
n
e
mx
2
/2
H
n
(x). (6.57)
H
n
(x) is a class of functions known as Hermite polynomials.
The nature of the Hermite polynomials leads to the following property for the
SHO eigenfunction:
_
+
n
(x)x
m
(x) dx =0 unless n =m1 (6.59)
This expresses mathematically the condition on possible transitions between
energy levels of the SHO, known as a selection rule.
It is known as an electric dipole transition since the x represents the distance between
the dipoles charges.
It means that a transition can only happen between adjacent states:
n =1. (6.60)
Recall that the energy difference between adjacent states is =hf , which is
Plancks quantization hypothesis.
6.6 Reection and Transmission of Waves
Reection and Transmission of Waves
So far, weve only examined potentials that maintain bound states.
We now consider the effect of a potential energy on an unbound particle.
Being unbound implies that E >V
0
, which itself implies that d
2
(x)/dx
2
and (x)
have opposite signs and thus are oscillatory.
One difculty with this is that these functions are not normalizable; an
oscillating function does not approach zero at innity so that
_
+
(x)
2
dx .
To circumvent this, we could use wave packets composed of innite plane waves.
Even though we use non-normalizable plane waves, we can always compose a
wave packet from them using Fourier analysis.
6.6 Reection and Transmission of Waves Step Potential
Step Potential
Consider a region containing a potential that is the step function
V(x) =
_
0, x <0,
V
0
, x >0.
Classically, the answer is simple: if E <V
0
then each particle reects, if E >V
0
then each particle passes the step with a reduced speed.
The quantum mechanical result is more interesting.
For E <V
0
, there is some tunneling into the step barrier.
This is similar to the wave function leaking out of the nite square well.
To realize this, we need to go through the labor of completely solving
Schrdingers equation in both regions.
Step Potential
contd
Schrdingers equation in each region is:
Region I For x <0,
d
2
(x)
dx
2
=k
2
1
(x), k
2
1
=
2mE
2
. (6.61)
Region II For x >0,
d
2
(x)
dx
2
=k
2
2
(x), k
2
2
=
2m(E V
0
)
2
. (6.62)
Step Potential
contd
The solutions to these DEs are
Region I For x <0,
1
(x) =Ae
ik
1
x
+Be
ikx
. (6.63)
Region II For x >0,
2
(x) =Ce
ik
2
x
+De
ik
2
x
(6.64)
Recall the conditions on the solution to be a viable wave function:
and d/dx must be continuous across x =0.
This leads to the matching conditions:
1
(0) =
2
(0) and
1
(0) =
2
(0).
Step Potential
contd
Enforcing continuity of the wave function, we have
1
(0) =
2
(0) A+B =C+D. (6.65a)
Continuity of the wave functions slope gives
1
(0) =
2
(0) ik
1
(AB) =ik
2
(CD) . (6.65b)
We can set D=0 since we expect no incoming particles from+.
e
ik
2
x
represents a plane wave moving in the x direction.
Since A represents the probability amplitude of the incoming particles, we need
to determine B and C in terms of A.
e
ik
1
x
represents a plane wave moving in the +x direction.
Step Potential
contd
The result for these probability amplitudes is
B =
k
1
k
2
k
1
+k
2
A=
E V
0
E +
E V
0
A. (6.66)
C =
2k
1
k
1
+k
2
A=
2
E +
E V
0
A. (6.67)
Next, we form the ratios B/A and C/A to get the relative probability amplitude.
Step Potential
contd
Taking the norm-squared of these ratios gives the relative probabilities:
R=
B
A
2
=
_
k
1
k
2
k
1
+k
2
_
2
(6.68)
T =
k
2
k
1
C
A
2
=
4k
2
k
1
(k
1
+k
2
)
2
(6.69)
The factor of k
2
/k
1
for T is necessary to normalize T since there will be different
currents in the two regions because of the differing potentials.
R is called the reection coefcient (or probability of reection) and T is called
the transmission coefcient (or probability of transmission).
R tells us what the probability is that a particle of energy E would be reected back into
x <0.
T tells us what the probability is that a particle of energy E would be transmitted into
x >0.
Step Potential
contd
From these relations, it is easily seen that
T +R=1. (6.70)
This means that for any particle incident on the left side of the step, it is either
reected or transmitted.
It is subtle but a good thing we dont want particles to disappear.
The implications of this are signicant and contrary to classical mechanics:
1 Even if E >V
0
, R is not 0. So some particles are reected by the change in particle. (This
is analogous to internal reection of electromagnetic waves at the interface of two
media.)
2 R depends on k
1
k
2
but not on whether this difference is positive or negative.
Approaching the step from either side is equivalent.
Step Potential
contd
Here is a sequence of images showing a wave packet encountering a step
potential.
Notice the increased amplitude as the
particle strikes the step this is
related to the longer wavelength.
Notice the ripples this is
interference between the incident
components and reected
components comprising the packet.
The dot represents the motion of a classical particle.
Note the reected wave packet.
Step Potential
contd
Here are plots of the transmission T and reection R coefcients for various
particle energies.
The reection is near perfect for E <V
0
,
particle energies below the potential
energy strength there is a nonzero
probability of nding the particle at
x >0.
At a critical energy, T =R, i.e., there is a
50-50 shot of nding the particle
reected or transmitted.
At sufciently large energy, E V
0
, the transmission approaches unity.
6.6 Reection and Transmission of Waves Barrier Potential
Barrier Potential
The next step is to consider a barrier that is only of nite width, not innitely
wide as for the step.
V(x) =
_
V
0
, 0 <x <a,
0, 0 >x >a.
(6.73)
The wave function must now be divided into three regions:
I
(x) =Ae
ik
1
x
+Be
ik
1
x
x <0
II
(x) =Ce
x
+De
+x
0 <x <a (6.74)
III
(x) =Ee
ik
1
x
+Ge
ik
1
x
x >a
Where k
2
1
=2mE/
2
and
2
=2m(V
0
E) /
2
.
Barrier Potential
contd
This problems requires a more involved solution, but the steps are the same.
I
(0) =
II
(0) and
II
(a) =
III
(a).
I
(0) =
II
(0) and
II
(a) =
III
(a).
The solution for the wave function (with the correct
coefcients) is show to the right.
Note the decay in amplitude through the barrier.
Classically, we should have R=1 for E <V
0
.
This phenomenon is called barrier penetration or tunneling.
Barrier Potential
contd
The transmission coefcient from Region I to Region III is
T =
F
A
2
=
_
_
1+
sinh
2
z
4
E
V
0
_
1
E
V
0
_
_
_
1
. (6.75)
For thick barriers, a 1, this simplies to
T 16
E
V
0
_
1
E
V
0
_
e
2a
. (6.76)
If , we recover the step barrier and T =0.
Tunneling is important is many technical applications as well as chemical
bonding, to mention two.
Scanning Tunneling Microscope
Optical microscopes cannot image atoms since visible light involves wavelengths
orders of magnitude larger than atoms.
But electrons can image atoms.
One device to do so, and hinges of quantum mechanics, is the scanning
tunneling microscope (STM).
It involves an atomically-sharp tip that scans across a
surface.
A potential difference is applied between the tip and
sample (so an STM is restricted to conductive samples).
Depending on the distance between the tip and sample, electrons can tunnel
across the separation.
Since T e
2x
, monitoring the potential difference or resulting current results
in very accurate topographical maps of the electrons in the samples surface.
Scanning Tunneling Microscope
contd
Here are some sample STM images taken at room temperature.
Gold nanoparticles on
a TiC surface.
NH
3
Atomic Clock
Ammonia-based atomics clocks also use tunneling.
Here is the NH
3
molecule.
The potential energy of the N atom is shown.
The nitrogen atom oscillates between the two potential wells, a process that is
classically forbidden, but occurs only because of tunneling.
The oscillation frequency is 2.378610
10
Hz, a rather modest molecular
frequency.
Homework
Section 6.1 1, 3;
Section 6.2 10, 11, 22;
Section 6.3 23, 24;
Section 6.4 29, 33, 34;
Section 6.5 39, 42.
Section 6.6 47, 49.
Problems 56, 59.

Lecture Slides For Chapter 6

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Chapter 6

The Schrdinger Equation

1, implying that the wave

(x, t)(x, t) dx =(x, t)

(x)(x) dx =1. (6.20)

) but nding the energy

has the same sign as the

, so the function always bends toward the x

(x, t)x(x, t) dx (6.44)

(x, t)f (x)(x, t) dx. (6.46)

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