Quantum Theory Techniques and Applications

QUANTUM THEORY:
TECHNIQUES AND
APPLICATIONS
TRANSLATIONAL MOTION
VIBRATIONAL MOTION
ROTATIONAL MOTION
TRANSLATIONAL MOTION
A Particle in Box
Motion in Two or More
Dimensions
Tunneling
VIBRATIONAL MOTION
The Energy Levels
The Wavefunction
ROTATIONAL MOTION
Rotation in two dimensions: a
particle on a ring
Rotation in three dimensions: the
particle on a sphere
Spin
A PARTICLE IN A BOX
A particle in a one-dimensional region with impenetrable walls. Its

potential energy is zero between x = 0 and x = L, and rises abruptly to
infinity as soon as it touches the walls.
The allowed energy levels

for a particle in a box.
Note that the energy
levels increase as n2, and
that their separation
increases as the quantum
number
increases.
The first five normalized wavefunctions of a particle in a box. Each

wavefunction is a standing wave, and successive functions possess one more
half wave and a correspondingly shorter wavelength.
(a) The first two wavefunctions,

(b) the corresponding probability
distributions, and
(c) a representation of the probability
distribution in terms of the darkness of
shading.
A two-dimensional square well. The particle is confined to the plane bounded

by impenetrable walls. As soon as it touches the walls, its potential energy rises
to infinity.
The wavefunctions for a particle confined to a rectangular surface

depicted as contours of equal amplitude. (a) n1 = 1, n2 = 1, the state of
lowest energy, (b) n1 = 1, n2 = 2, (c) n1 = 2, n2 = 1, and (d) n1 = 2,
n2 = 2
The wavefunctions for a particle

confined to a square surface.
Note that one wavefunction can
be converted into the other by a
rotation of the box by 90.
The two functions correspond
to the same energy. Degeneracy
and symmetry are closely
related.
TUNNELING
A particle incident on a barrier from the left has an oscillating wave function,
but inside the barrier there are no oscillations (for E < V). If the barrier is not
too thick, the wavefunction is nonzero at its opposite face, and so oscillates begin
again there. (Only the real component of the wavefunction is shown.)
When a particle is incident on a barrier from the left, the wavefunction consists of a
wave representing linear momentum to the right, a reflected component representing
momentum to the left, a varying but not oscillating component inside the barrier, and a
(weak) wave representing motion to the right on the far side of the barrier.
If >>1
Where =E/V
The transition probabilities for passage through a barrier. The horizontal axis
is the energy of the incident particle expressed as a multiple of the barrier
height. The curves are labelled with the value of L(2mV)1/2/.
The wavefunction of a heavy particle decays more rapidly inside a barrier

than that of a light particle. Consequently, a light particle has a greater
probability of tunnelling through the barrier.
The lowest two bound-state wavefunctions for a particle in the well and
one of the wavefunctions corresponding to an unbound state (E > V).
VIBRATIONAL MOTION
The parabolic potential energy

V = 1/2kx2 of a harmonic
oscillator, where x is the
displacement from equilibrium.
The narrowness of the curve
depends on the force constant
k: the larger the value of k, the
narrower the well.
The energy levels of

a harmonic oscillator
are evenly spaced
with separation ,
with = (k/m)1/2.
Even in its lowest
state, an oscillator
has an energy
greater than zero.
Interpretation of the derived

Mathematical Expression
The wavefunctions slowly become zero at large
displacements.
The wavefunctions decay more rapidly for large masses
and large force constants (stiff springs).
The wavefunctions grow large before the Gaussian
function damps them down to zero (as a result, the
wavefunctions spread over a wider range as v increases)
ROTATIONAL MOTION
REVIEW
The angular
momentum of a
particle confined to a
plane can be
represented by a
vector of length |ml |
units along the z-axis
and with an orientation
that indicates the
direction of motion of
the particle. The
direction is given by
the right-hand screw
rule.
ROTATION IN THREE DIMENSIONS:
The Particle on a Sphere
Spherical polar
coordinates. For
a particle
confined to the
surface of a
sphere, only the
colatitude, , and
the azimuth, ,
can change.
We will end up with this equation:
ml
With value of:
Where l is related to ml by:
And the corresponding energy for a particle on a sphere:
Brief illustration:
Consider 1H127I
r = 160pm
mHr2 = 4.288 1047kg m2
l
0
1
2
3
Energy
0
0.2594 zJ
0.7782 zJ
1.556 zJ
Transition between l = 0 and l = 1:
microwave
spectroscopy is a
convenient method
for the study of
molecular rotations
A more complete
representation of the
wavefunctions for l =
0, 1, 2, and 3. The
distance of a point on
the surface from the
origin is proportional
to the square
modulus of the
amplitude of the
wavefunction at that
point.
=
= , , =
cos +
Spherical Harmonics
S = -1 for positive odd m

+1 otherwise
N = Normalization constant
P = associated Legendre function
dependence
Space quantization
The result that ml is

confined to the values l,
l 1, . . . , l for a given
value of l means that
the component of
angular momentum
about the z-axis may
take only 2l + 1 values.
(a) A summary of permitted

orientations of angular
momentum. However,
because the azimuthal
angle of the vector around
the z-axis is indeterminate,
a better representation is
as in (b), where each
vector lies at an
unspecified azimuthal
angle on its cone.
Otto Stern and Walther

Gerlach(1921) deviced an
experiment to try to test
space quantization
(a)The experimental
arrangement for the
SternGerlach
experiment: the magnet
provides an
inhomogeneous field.
(b) The classically expected
result.
Spin
the angular momentum
they were observing was
not due to orbital angular
momentum but arose
instead from the motion
of the electron about its
own axis
Spin
- an intrinsic property
- represented by s (spin
quantum number) and
ms (magnetic spin q n)
- ms = 2s+1 = +s, s-1,,-s
- spin angular momentum
projection to the z axis =
[s(s+1)]1/2
Spin
- Particles with half-integral spins are called
fermions
- With integral spins are called bosons
References: Atkins, 9th and

Atkins 8th edition

Quantum Theory Techniques and Applications

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QUANTUM THEORY:

A particle in a one-dimensional region with impenetrable walls. Its

The allowed energy levels

The first five normalized wavefunctions of a particle in a box. Each

(a) The first two wavefunctions,

A two-dimensional square well. The particle is confined to the plane bounded

The wavefunctions for a particle confined to a rectangular surface

The wavefunctions for a particle

The wavefunction of a heavy particle decays more rapidly inside a barrier

The parabolic potential energy

The energy levels of

Interpretation of the derived

ROTATION IN THREE DIMENSIONS:

The Particle on a Sphere

We will end up with this equation:

With value of:

Where l is related to ml by:

And the corresponding energy for a particle on a sphere:

Transition between l = 0 and l = 1:

S = -1 for positive odd m

The result that ml is

(a) A summary of permitted

Otto Stern and Walther

References: Atkins, 9th and

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