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Chem 373 - Lecture 11: Harmonic Oscillator-I
Chem 373 - Lecture 11: Harmonic Oscillator-I
Chem 373 - Lecture 11: Harmonic Oscillator-I
Vibrational motion
(This lecture introduces the classical harmonic oscillator
as an introduction to section 12.4 .
Lecture on-line
The Harmonic Oscillator-I (PDF)
The Harmonic Oscillator-I (PowerPoint
Handout for this lecture (PDF)
Supporting material for classical harmonic oscillator (PDF)
Supporting material for classical harmonic oscillator
(PDF handout format with 6 slides per page)
Supporting material for quantum mechanical harmonic oscillator (PDF)
Supporting material for quantum mechanical harmonic oscillator (PDF
handout format with 6 slides per page)
Tutorials on-line
Basic concepts
Observables are Operators -
Postulates of Quantum Mechanics
Expectation Values -
More Postulates
Forming Operators
Hermitian Operators
Dirac Notation
Use of Matricies
Basic math background
Differential Equations
Operator Algebra
Eigenvalue Equations
Extensive account of Operators
Audio-visuals on-line
Overview of the harmonic oscillator (PDF)
(Good overview from the Wilson
group,****)
Overview of the harmonic oscillator (Powerpoint)
(Good overview from the Wilson
group,****)
Vibrating molecule-I (Quick Time movie 1.4 MB)
(From the CD included in Atkins
,***)
Vibrating molecule-II (Quick Time movie 1.4 MB)
(From the CD included in Atkins ,***)
Slides from the text book (From the CD included in Atkins ,**)
The material in this lecture covers the following in Atkins.
Review : Classical harmonic oscillator
Let us consider a particle of mass m attached to a spring
Equilibrium
x=0,t=0
o
x
Stretch
x=x
o
compress
x=-x
o
x
o
x
o
At the beginning at t = o the particle is at equilibrium,
that is no force is working at it , F = 0,
In general F = -k x . The force propotional to
displacement and pointing in opposite direction
o
Equilibrium
x=0,F=0
o
x
x
o
x
o
x
o F=-kx
o
x
o
F= kx
o
Review : Classical harmonic oscillator
k is the force constant
of the spring
V x k x ( )
1
2
2
F
dV
d x
d
d x
k
x k x
( )
2
2
We might consider as an other example two particles
attached to each side of a spring
r
e
A
B
F= 0
Equilibrium
r = r
e
Case I: Equilibrium
Review : Classical harmonic oscillator
r
e
-x
A
B
F= -k(-x)
Equilibrium
r = r
e
Case III: Compress
x
A
B
F= -kx
Stretch
r = r
e
+x
Case II: Stretch
r = r
e
+x
Again we have that
the force F is proportional
to the displacement
x and pointing in the
opposite direction
F = - k x
H
m
d
dx
kx
E kx
pot
+
h
2 2
2
2
2
2
1
2
1
2
V x kx ( )
1
2
2
Mass
Displacement
Force constant
The parabolic potential energy V =
1
/
2
kx
2
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.
Harmonic oscillator...Quantum mechanically
V(x) = 1/2k
2
x
2
V
x
-A
2
A
2
k
1
>
k
2
E
V(x) = 1/2k
1
x
2
-A
1
A
1
Harmonic oscillator...Quantum mechanically
=
cycles per time unit
1
2
k
m
or
k m 4
2 2
Thus
d
dx
d
dx
mx
d
dx
m
x
d
dx
x
m
H= -
2m
kx = -
2m
= -
2m
(
= -
2m
where =
2
2
2
2
2
2
h h
h
h
h
h
2
2
2
2
2 2 2
2
2
2 2 2
2
2
2
2 2
1
2
2
4
2
+ +
)
( )
Harmonic oscillator...Quantum mechanically
We must solve
H (x) =E (x)
or
-
2m
(x) =E (x)
Thus
(x)
(x) = - (x)
(x)
(x) = 0
2
2
2
( )
( )
h
h
h
d
dx
x
d
dx
x
mE
d
dx
mE
x
2
2
2 2
2
2
2 2
2
2
2 2
2
2
+
Harmonic oscillator...Quantum mechanically
d
dx
mE
x
x f x
2
2
2 2
2
2
2
(x)
(x) = 0
Let us look at a solution of
the form
(x) = exp(-
2
+ ( )
) ( )
h
let us further try to obtain
a power expansion of f(x)
of the form
f(x) = c
n
m=0
n=
x
n
Harmonic oscillator...Quantum mechanically
The x f x
with f x x
n
solution
=
(x) = exp(-
c
n
m=0
n=
2
2
) ( )
( )
Must satisfy (- ) = ( ) = 0.
We
d
dx
mE
x
want to solve :
2
2
2 2
2
(x)
(x) = 0
2
+ ( )
h
It
thi
E v
is shown in supplementary
material that s is only possible if
v =1, 2, 3, 4... + h( )
1
2
=
k
m
E
1
2
h
3
2
h
5
2
h
7
2
h
x
9
2
h
11
2
h
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.
Harmonic oscillator...Quantum mechanically .Energy levels
v 0
v 1
v 2
v 3
v 4
v 5
v 6
E v + h( )
1
2
We obtain as the solutions to (x)
Gaussian function)
( ) ( ) (
( ) exp ( )
x N polynomial in x bell shaped
x N
y
H y
v v v
1
]
1
2
2
Harmonic oscillator...Quantum mechanically.... Wavefunction
With
mk
=
h
2
1 4
_
,
/
y x /
Where
N
v
1
2
1
2
v
v!
_________________________
v H
1
1 2y
2 4y - 2
3 8y - 12y
4 16y - 48y +12
5 32y - 160y +120y
6 64y - 48y +72y - 120
_____________________________
v
2
3
4 2
5 3
6 4 2
0
Hermit polynominals
Harmonic oscillator...Quantum mechanically
What you should learn from this lecture
1
1
2
1
2
2
.
) ) .
)
The potential energy in a harmonic oscillator is given
V( x) = V(x x k(x
k is the force constant and x is the position where
the force F = -
dV
dx
(x is zero
e
2
e
e
e
x k x
Here
k x
2
1
2
.
( )
You are not required to solve the Schrdinger eq.
For the quantum mechanical harmonic
oscillator. However you should recall that the energy is given by :
v = 1, 2, 3, 4... E v + h
=
k
m
3. Also recall for the solution (x)
=
v v v
x N
y
H y y x
mk
( ) exp ( ); / ;
/
1
]
1
1
_
,
2 2
1 4
2
h
Where
N
v
1
2
1
2
v
v!