HARMONIC OSCILLATOR

Dr. rer. nat. Ruri Agung Wahyuono

Dept. Engineering Physics

Institut Teknologi Sepuluh Nopember, Surabaya

Quantum Physics - TF181405 1

 Learning Objectives

1 To understand simple Harmonic Oscillator (H.O.)

To apply quantum mechanics principle in a simple

2 H.O. system

3 …

Quantum Physics - TF181405 2

Harmonic Oscillator (HO) in Clasical Physics
A very simple example of harmonic oscillator is spring-mass system:
Once it is stretched,
restoring force (f) applies following Hooke‘s Law:
f = −k ( X − X 0 ) = −kx
k is spring constant (N/m), and x is maximum displacement (m)
Oscillation follows Newton‘s law of dynamics:
d 2x
m 2 = −kx x (t ) = A sin (t ) + B cos (t )
dt or
d 2x  k  x(t ) = C sin (t +  )
+  x = 0
dt 2
m k
where,  =
m
Quantum Physics - TF181405 3
Harmonic Oscillator (HO) in Clasical Physics

Recall,
x (t ) = A sin (t ) + B cos (t )
If x(0) = x 0 and v(0 ) = x (0 ) = 0

Mass is pulled at position x0 and at t=0. Then, it is released:

d
x(0) = A sin (0) + B cos(0) = x 0 x (0) = x = A cos(0) − B sin (0) = 0
dt x =0 A=0
B = x0
Hence,
x(t ) = x 0 cos(t ) → Mass is oscillating with amplitude of x0 from its equilibrium,
k if satisfy
with frequency of  = cos (t ) = 1
m
Quantum Physics - TF181405 4
Energy of HO
Total mechanical energy (E) in mass-spring based HO is contributed by kinetic (K) and
potential (U) energy.

At maximum stretched condition – Maximum U

1 2 1 2
U = −  f (x )dx =  (kx)dx = kx = kx0 cos 2 (t )
2 2

At equilibrium point – Maximum K

2
1 1 d  1
K = mv 2 = m  x 0 cos(t ) = kx02 sin 2 (t )
2 2  dt  2

Total mechanical energy (E):

E = K +U =
1 2
2
 
1
kx0 sin 2 (t ) + cos 2 (t ) = kx02
2

Quantum Physics - TF181405 5

Energy of HO
Oscillation and the energy conservation of HO:
1 2
 1 2
E = K + U = kx0 sin (t ) + cos (t ) = kx0
2
2 2

2

Temporal profile of mechanical Temporal profile of K and U of HO:
wave from HO:
x(t) 1 2
𝑘𝑥
2 0
x0(t)

t
-x0(t)
0 t

Quantum Physics - TF181405 6

HO in Microscopic World
How harmonic oscillator in molecular scale behaves?
Let‘s consider a diatomic molecule which is chemically bonded and separated by a distance x:
Once it is stretched from its equilibrium → store
potential energy (U) described in Taylor series:
A B
dU 1 d 2U
U (X ) = U (X 0 ) + (X − X 0 ) + ( X − X 0 )2 + ...
dx X =X0 2! dX 2 X =X0
x
dU 1 d 2U
Consider: U (x ) = x+ x 2 + ...
dx x =0 2! dx 2 x =0
• x = X − X0
For HO, x must be very small and hence, x3 can be neglected
• U ( X = X 0 ) = U (x = 0) = 0 in Taylor series:
1 d 2U 1 2
• dU =0 U (x )  2
x = kx
dx x =0
2 dx 2 x =0
2
Quantum Physics - TF181405 7
 1D Diatomic Molecule
m1 m2 2 2
1  dX 1  1  dX 2 
K = m1   + m2  
X 2  dt  2  dt 
X1 XCOM X2
2 2
1  dX COM  1  dx 
Total mass and relative position: = M  +   rel 
2  dt  2  dt 
M = m1 + m 2 x rel = X 2 − X 1
Introducing reduced mass:
mm
= 1 2 2 2
m1 + m 2 1  dX COM  1  dxrel  1 2
E = K +U = M  +   + kx
Center of Mass (COM): 2  dt  2  dt  2
m1 X 1 + m2 X 2
X COM =
m1 + m2
Quantum Physics - TF181405 8
1D-Diatomic Molecule
u

m1 m2 2 2
1  dX COM  1  dxrel  1
E = K +U = M  +   + kx 2
2  dt  2  dt  2
Translation

m1 m2
2 2
1  dX  1  dx  1
E trans = M  COM  E vib =   rel  + kx 2
Vibration 2  dt  2  dt  2

m1 m2

Rotation
Quantum Physics - TF181405 9
Quantum Mechanics of H.O.
Consider 1D – Schrödinger eq to solve H.O. in diatomic molecule.
2 2
 d 1 2
Hˆ  (x ) = − 2
 ( x ) + kx  (x ) = E (x ) m1 m2
2m dx 2
• E consists of kinetic (K) and potential (U) energy.
• m is substituted with the reduced mass µ

Find the eigen value E n and function  n ( x ) by arranging the

Hamiltonian into:

d2 2m  1 2
2
 (x ) + 2  E − kx  (x ) = 0 Typical ODE form whose solution is
dx   2  Gaussian function: x 2
f (x ) = e
−
2

Quantum Physics - TF181405 10

Quantum Mechanics of H.O.
2
−x
Let‘s take 2nd order derivative of f (x ) = e 2 , and thus

d2 −x
2
−x
2

2
f ( x ) = − e 2
+  2
x 2
e 2
= − f ( x ) +  x f (x )
2 2

dx
Rearrange above eq. into:
d2 d2 2m  1 2
2
f ( x ) +  f ( x ) −  x f (x ) = 0
2 2
2
 (x ) + 2  E − kx  (x ) = 0
dx dx   2 

2mE mk  k
= and  2
= → E=
2 2 2 m

Quantum Physics - TF181405 11

Harmonic Oscillator
Harmonic oscillator in classical physics,

1 2
• Total energy of 𝐸𝑇 = 𝑘𝑥0 oscillates between KE dan U.
2
2𝐸𝑇
• Maximum displacement occurs at maximum U: 𝑥0 = (classical returning point)
𝑘

Quantum Physics - TF181405 12

Harmonic Oscillator
Harmonic oscillator in classical physics,

“A harmonic oscillator with an energy of

1
𝐸𝑇 = 𝑘𝑥02 never has a displacement
2
more than x0 (if so, U > ET, and this is
against energy conservation law) “

1 2
• Total energy of 𝐸𝑇 = 𝑘𝑥0 oscillates between KE dan U.
2
2𝐸𝑇
• Maximum displacement occurs at maximum U: 𝑥0 = (classical returning point)
𝑘

Quantum Physics - TF181405 13

Quantum H.O.
Harmonic oscillator in quantum mechanics exhibits |n(x)| described in the
quantum potential energy diagram:

• For lower n, probability density distribution is disimilar

to the energy curve of classical H.O.
• For higher n, probability density distribution is similar to
the energy curve of classical H.O.

Quantum Physics - TF181405 14

 Quantum H.O.
Probability > 0 for x  x0 !
• The probability for x > x0 or x < -x0 :
   −x
2  (x ) dx = 2 
2
2
−1 0 e dx
−1
 2
  2

2  − y2
=
  e dy
1

= erfc(1) = 0,16

• Quantum H.O. breaks through the forbidden

zone in classical physics → Tunneling.
• Tunneling is general characteristic of
mechanical quantum system with really tiny
mass, e.g., electron, hydrogen.
Source: http://hyperphysics.phyastr.gsu.edu/hbase/quantum/imgqua/hoscprob.gif
Quantum Physics - TF181405 15
Quantum Tunneling
E

𝜓 𝑥 ~sin(𝑘𝑥) 𝜓 𝑥 ~𝑒 −𝛾𝑥
Finite V0 𝜓 𝑥 ~sin(𝑘𝑥 + 𝜙)
barrier

Quantum Physics - TF181405 16

Quantum Tunneling
The wave function which tunnels the potential barrier:
 2 d 2 
− 2
+ V0  (x ) = E (x )
 2m dx 2
d
 ( x ) = 2m
(V0 − E )
 (x )
2 2
dx 
Solution for the above 2nd order ODE:

𝜓 𝑥 = 𝐵𝑒 −𝛾∙𝑥 where  = 2m
(V0 − E )
2

  V0 − E
 = 2m
(V0 − E ) “If potential barrier isn‘t too high and the
mass is light, tunneling will be trivial.“
2   m
Quantum Physics - TF181405 17
Problem Example #1
Consider a 1D box width 1 mm. Roughly, what value of n corresponds to a state of energy
0.01 eV.

8𝐸𝑚𝑎2
𝑛=
ℎ2

0.01𝑒𝑉 (1.6 × 10−19 𝐽/𝑒𝑉) 9.1 × 10−31 𝑘𝑔 1 × 10−3 𝑚 2

= 8∙
6.62 × 10−34 𝐽. 𝑠 2
= 1.6 × 105
0 a x

2k 2 n 2 2  2 n 2 h 2
E=  E n= 2
=
2m 2ma 8ma 2

Quantum Physics - TF181405 18

Problem Example #2
𝑑𝑛
Calculate the density of states and the number of states within the interval of 105 eV
𝑑𝐸
for a 1D box width 1 mm at an energy of 0.01 eV.
2k 2 n 2 2  2 n 2 h 2
E=  E n= 2
=
2m 2ma 8ma 2
ℎ2 2
𝐸= 𝑛 𝐸 = 𝐶𝑛2
8𝑚𝑎2
ln(𝐸) = ln(𝐶𝑛2 )
ln(𝐸) = ln(𝐶) + ln(𝑛2 )
ln 𝐸 = ln 𝐶 + 2ln(𝑛)
1 2
𝑑𝐸 = 0 + 𝑑𝑛
𝐸 𝑛
𝑑𝑛
𝑑𝑛 𝑛 1.6 × 105 𝑑𝐸 106
= = = 8 × 106 𝑠𝑡𝑎𝑡𝑒𝑠/𝑒𝑉 𝑛= = 8 × 5 = 80 𝑠𝑡𝑎𝑡𝑒𝑠
𝑑𝐸 2𝐸 2(0.01) ∆𝐸 10
Quantum Physics - TF181405 19
Problem Example #3
Consider a particle in a box. Its wave function is given by
𝑥 𝑎
𝐴 ,0 < 𝑥 <
𝜓 𝑥 = 𝑎 2
𝑥 𝑎
𝐴 1− , <𝑥<𝑎
𝑎 2
12 𝑎 2 𝑑𝑥
where 𝐴 = so as to satisfy ‫׬‬0 𝜓 𝑥 = 1. Calculate the probability that a
𝑎
measurement of the energy yields the eigenvalue En.
𝑎 𝑎
2 𝑛𝜋𝑥
𝐴𝑛 = න 𝜓 𝑥 𝜓∗ 𝑥 𝑑𝑥 = න 𝜓 𝑥 sin 𝑑𝑥
𝑎 𝑎
0 0
𝑎
2 𝑎
12 𝑥 2 𝑛𝜋𝑥 12 𝑥 2 𝑛𝜋𝑥
=න sin 𝑑𝑥 + න 1− sin 𝑑𝑥
𝑎 𝑎 𝑎 𝑎 𝑎 𝑎 𝑎 𝑎
0 𝑎
2

Quantum Physics - TF181405 20

 𝑎 𝑎
2 𝑛𝜋𝑥
𝐴𝑛 = න 𝜓 𝑥 𝜓 ∗ 𝑥 𝑑𝑥 = න 𝜓 𝑥 sin 𝑑𝑥
𝑎 𝑎
0 0
𝑎
2 𝑎 0 , 𝑓𝑜𝑟 𝑛 𝑜𝑑𝑑
24 𝑥 𝑛𝜋𝑥 𝑥 𝑛𝜋𝑥 𝑛𝜋
= න sin 𝑑𝑥 + න 1 − sin 𝑑𝑥 cos =ቐ 𝑛
𝑎 𝑎 𝑎 𝑎 𝑎 2 −1 2 , 𝑓𝑜𝑟 𝑛 𝑒𝑣𝑒𝑛
0 𝑎
2
𝜋
2 0 , 𝑓𝑜𝑟 𝑛 𝑒𝑣𝑒𝑛
𝑢 𝑎 𝑛𝜋
= න sin 𝑛𝑢 𝑑𝑢 sin =ቐ 𝑛−1
𝜋 𝜋 2 −1 2 , 𝑓𝑜𝑟 𝑛 𝑜𝑑𝑑
0
𝜋 𝜋
2 2
𝑎 𝑎 𝑢𝑐𝑜𝑠 𝑛𝑢 cos 𝑛𝑢
= න 𝑢 sin 𝑛𝑢 𝑑𝑢 = − − න − 𝑑𝑢 𝜋𝑥 𝜋
𝜋2 𝜋2 𝑛 𝑛 𝑆𝑢𝑏𝑠𝑡𝑖𝑡𝑢𝑡𝑒 𝑢 = , 𝑑𝑢 = 𝑑𝑥
0 0 𝑎 𝑎
𝜋 𝑛π
𝑎 𝑢𝑐𝑜𝑠 𝑛𝑢 sin 𝑛𝑢 2 𝑎 π 𝑛π sin
= − + = − cos + 2 − 0+0
𝜋2 𝑛 𝑛2 𝜋2 2𝑛 2 𝑛2 𝑃𝑎𝑟𝑡𝑖𝑎𝑙 𝑖𝑛𝑡𝑒𝑔𝑟𝑎𝑙
0
𝑈 = 𝑢 → 𝑑𝑈 = 𝑑𝑢
𝑛π cos 𝑛𝑢
𝑎 π 𝑛π sin
= 2 − cos + 2 𝑑𝑉 = sin 𝑛𝑢 𝑑𝑢 → 𝑉 = −
𝜋 2𝑛 2 𝑛2 𝑛

Quantum Physics - TF181405 21

 𝑎
2 𝑎
24 𝑥 𝑛𝜋𝑥 𝑥 𝑛𝜋𝑥
= න sin 𝑑𝑥 + න 1 − sin 𝑑𝑥
𝑎 𝑎 𝑎 𝑎 𝑎
0 𝑎
2

𝑛π 𝑛𝜋 0 , 𝑓𝑜𝑟 𝑛 𝑜𝑑𝑑
24 π 𝑛π sin cos =ቐ 𝑛
= 2 − cos + 2 2 −1 2 , 𝑓𝑜𝑟 𝑛 𝑒𝑣𝑒𝑛
𝜋 2𝑛 2 𝑛2

24 𝑛π 24 𝑛π 𝑛𝜋 0 , 𝑓𝑜𝑟 𝑛 𝑒𝑣𝑒𝑛
=− cos + 2 2 sin sin =ቐ 𝑛−1
2𝑛𝜋 2 𝑛 𝜋 2 2 −1 2 , 𝑓𝑜𝑟 𝑛 𝑜𝑑𝑑
24 𝑛−1
2 2 −1 2 + ⋯ , 𝑓𝑜𝑟 𝑛 𝑜𝑑𝑑
= 𝑛 𝜋
24 𝑛
− −1 2 + ⋯ , 𝑓𝑜𝑟 𝑛 𝑒𝑣𝑒𝑛
2𝑛𝜋

Quantum Physics - TF181405 22

 𝑎 𝑎
2 𝑛𝜋𝑥
𝐴𝑛 = න 𝜓 𝑥 𝜓 ∗ 𝑥 𝑑𝑥 = න 𝜓 𝑥 sin 𝑑𝑥
𝑎 𝑎
0 0
𝑎
2 𝑎
24 𝑥 𝑛𝜋𝑥 𝑥 𝑛𝜋𝑥
= න sin 𝑑𝑥 + න 1 − sin 𝑑𝑥
𝑎 𝑎 𝑎 𝑎 𝑎
0 𝑎
2
𝑎 𝑎
𝑛𝜋𝑥 𝑥 𝑛𝜋𝑥 𝜋𝑥 𝜋
= න sin 𝑑𝑥 − න sin 𝑑𝑥 𝑆𝑢𝑏𝑠𝑡𝑖𝑡𝑢𝑡𝑒 𝑢 = , 𝑑𝑢 = 𝑑𝑥
𝑎 𝑎 𝑎 𝑎 𝑎
𝑎 𝑎
2 2
𝑎 𝜋
𝑎 𝑛𝜋𝑥 𝑎 𝑢𝑐𝑜𝑠 𝑛𝑢 sin 𝑛𝑢
= − cos( ) − − +
𝑛𝜋 𝑎 𝑎 𝜋2 𝑛 𝑛2 𝜋
2
2 𝑛π Cos (0*pi) = 1
𝑎 𝑛𝜋 𝑎 𝜋𝑐𝑜𝑠 𝑛𝜋 sin 𝑛𝜋 π 𝑛π sin
=− cos 𝑛𝜋 − cos − 2 − + − − cos + 2 Cos (1*pi) = -1
𝑛𝜋 2 𝜋 𝑛 𝑛2 2𝑛 2 𝑛2 Cos (2*Pi) = 1
𝑛π
𝑎 𝑛𝜋 𝑎 𝜋𝑐𝑜𝑠 𝑛𝜋 π 𝑛π sin Cos(3*pi) = -1
=− cos 𝑛𝜋 − cos − 2 − + cos − 2
𝑛𝜋 2 𝜋 𝑛 2𝑛 2 𝑛2
Cos(n*pi)=(-1)n

Quantum Physics - TF181405 23

 Problem Example #4
Consider a particle whose normalized wave function is
2𝑎 𝑎𝑥𝑒 −𝑎𝑥 , 𝑥 > 0
𝜓 𝑥 =ቊ
0 ,𝑥 < 0
2
(a) For what value of x does 𝜓 𝑥 peak?
(b) Calculate 𝑥 and 𝑥 2
(c) What is the probability that particle is found between x = 0 and x = 1/a
Solution:
2
(a) 𝜓 𝑥 = 4𝑎3 𝑥 2 𝑒 −2𝑎𝑥 4𝑎3 2𝑥𝑒 −2𝑎𝑥 + 𝑥 2 −2𝑎 𝑒 −2𝑎𝑥 = 0
𝑑𝜓 𝑥 2 4𝑎3 𝑒 −2𝑎𝑥 2𝑥 − 2𝑎𝑥 2 = 0
Maximum point follows =0
𝑑𝑥
2 2𝑥 − 2𝑎𝑥 2 = 0
𝑑𝜓 𝑥
= 4𝑎3 (2𝑥𝑒 −2𝑎𝑥 + 𝑥 2 −2𝑎 𝑒 −2𝑎𝑥 ) 1
𝑑𝑥 𝑥=
𝑎
Quantum Physics - TF181405 24
 Problem Example #4
Consider a particle whose normalized wave function is
2𝑎 𝑎𝑥𝑒 −𝑎𝑥 , 𝑥 > 0
𝜓 𝑥 =ቊ
0 ,𝑥 < 0
(b) Calculate 𝑥 and 𝑥 2
Solution:
(b) Use the concept of statistical parameters in Q.M.
∞ ∞ ∞
𝑦 3 𝑑𝑦
∗ 3 3 −2𝑎𝑥 3
𝑥 = න 𝜓 𝑥 𝑥𝜓 𝑥 𝑑𝑥 = න 4𝑎 𝑥 𝑒 𝑑𝑥 = 4𝑎 න 𝑒 −𝑦
2𝑎 2𝑎
0 0 0
∞
1 3 −𝑦
1 3!
= න 𝑦 𝑒 𝑑𝑦 = Γ 4 =
4𝑎 4𝑎 4𝑎
0
The integral form fits the Gamma function upon substitution y = 2ax, dy = 2adx
Quantum Physics - TF181405 25