Introduction to Quantum

Mechanics
Duong Quang Ha, Ph.D
One-Dimensional Problems
 One-Dimensional Motion
❑ The general one-dimensional Schrodinger’s equation :

i  (t ) = H  (t )
t

in which : 2
p
H = x +V (X )
2m

❑ Project on the x-axis :

   px
2
  2  
i X  (t ) = X H  (t ) → i X  (t ) = X  + V ( X )   (t ) =  − + V ( X )  X  (t )
t t  2 m   2 m x 2


in which :
X  (t ) =  ( x, t )
 One-Dimensional Motion
❑ The one-dimensional Schrodinger’s equation can be written
as :
 2   
−
 2m x 2 + V ( X )   ( x , t ) = i  ( x, t )
  t

❑ If the wavefunction is represented by :

iEt iEt
− −
 (t ) =  e → X  (t ) = X  e =  E ( x, t )

❑ The Schrodinger’s equation becomes :

 2  
−
 2m x 2 + V ( X )  X  =E X 
 
 One-Dimensional Motion
❑ In addition :
H  =E  → X H  = X E  =E X 

❑ At this time, we have :

 2  
−
 2m x 2 + V ( X )  ( x) = E ( x)
 

❑ Here is the one-dimensional time-independence

Schrodinger’s equation. The wavefunction |ψ(x)> is the
solution corresponding with the energy E.
 One-Dimensional Motion
❑ The Schrödinger equation describing the dynamics of a
microscopic particle of mass m in a one-dimensional time-
independent potential V(x) :

▪ The solutions of this equation yield the allowed energy

eigenvalues En and the corresponding wave functions ψn(x).
▪ The solutions of the Schrödinger equation for time-
independent potentials are stationary :
One-Dimensional Motion

General potential
 Discrete Spectrum
• Bound states occur whenever the particle cannot move to
infinity. The particle is confined or bound at all energies to
move within a finite and limited region of space.
• The Schrödinger equation in this region admits only solutions
that are discrete.
• The motion of the particle is bounded between the classical
turning points x1 and x2 when the particle’s energy lies
between Vmin and V1:
 Continuous Spectrum
• Unbound states occur in
those cases where the
motion of the system is
not confined; a typical
example is the free
particle.
• In the shape of general
potential, there exist 2
energy ranges :
 Mixed Spectrum
• Potentials that confine the particle for only some energies
give rise to mixed spectra; the motion of the particle for such
potentials is confined for some energy values only.
• Other typical examples where mixed spectra are encountered
are the finite square well potential and the Coulomb or
molecular potential.
 Symmetric Potential
❑ Most of the potentials that are encountered at the
microscopic level are symmetric V(-x) = V(x) → the
corresponding Hamiltonian H(x) is even.
❑ Nondegenerate spectrum :
▪ The bound eigenstates of a particle moving in a one-
dimensional symmetric potential have definite parity; they
are either even or odd :
 Symmetric Potential
❑ Degenerate spectrum :
▪ If the spectrum of the
Hamiltonian corresponding to
a symmetric potential is
degenerate, the eigenstates are
expressed only in terms of
even and odd states.
 Energy Spectrum
❑ Theorem 1 : In a one-
dimensional problem the energy
levels of a bound state system are
discrete and not degenerate.
❑ Theorem 2 : The wave function
ψn(x) of a one-dimensional bound
state system has n nodes (i.e.,
ψn(x) vanishes n times) if n=0
corresponds to the ground state
and (n-1) nodes if n=1
corresponds to the ground state.
 Free Particle
❑ The simplest one-dimensional problem is V(x) = 0.
▪ The Schrodinger equation for stationary states :

▪ The complete wave function is :

 Free Particle
❑ The free particle problem is simple to solve mathematically,
but it presents a number of physical subtleties.
1. The probability density :

2. The speed of wave vs. The speed of particle :

3. The wavefunction is not normalizable :

 Free Particle
❑ Obviously, the solutions of the Schrödinger equation cannot
be plane waves. Instead, we can construct physical solutions
by means of a linear superposition of plane waves → wave
packets.

❑ In summary, a free particle cannot be represented by a

single (monochromatic) plane wave; it has to be represented
by a wave packet.
 Potential Step
• Another simple problem consists of a particle that is free
everywhere, but beyond a particular point.
 Potential Step
❑ Case E > V0 :

NO wave reflected in region x>0.

D=0
 Potential Step
❑ The complete wavefunction :
 Potential Step
❑ The transmission and reflection
coefficients :

❑ Boundary conditions : both wavefunction

and its derivative must be continuous at
x=0.
 Potential Step
❑ Remark : the physical meaning of the
boundary conditions
1. The probability of finding the particle in
any small region must be continuous.

2. The linear momentum of particle must be

continuous.
 Potential Step
❑ Case E < V0 :

The wavefunction must be finite everywhere.

D=0
 Potential Step
❑ The complete wavefunction :

❑ In this case, the transmitted

wavefunction is purely real.
 Potential Barrier and Well
❑ Consider a beam of particles of mass m that are sent from
the left on a potential barrier :
 Potential Barrier and Well
❑ Case E > V0 :

❑ Boundary conditions :
 Potential Barrier and Well
❑ Solving these equations :
 Potential Barrier and Well
❑ Transmission and Reflection coefficients :
 Potential Barrier and Well
❑ Case E < V0 : Tunneling

❑ Boundary conditions :
 Potential Barrier and Well
❑ Case E < V0 : Tunneling

▪ Note : T is finite → the probability of the

transmission of particle is not zero →
tunneling effect.
 Tunneling Effect
❑ In general, the tunneling effect consists of the propagation
of a particle through a region where the particle’s energy is
smaller than the potential energy E < V0(x).
 Infinite Square Well Potential
❑ Asymmetric square well : Consider a particle of mass m
confined to move inside an infinitely deep asymmetric
potential well.

a
 Infinite Square Well Potential
❑ This particle to have only bound state solutions and a
discrete nondegenerate energy spectrum. Since V(x) is
infinite outside the region 0<x<a, the wave function of the
particle must be zero outside the boundary.

❑ Boundary conditions :
 Infinite Square Well Potential
❑ The energy is quantized and the states of a particle which is
confined to a limited region of space are bound states and the
energy spectrum is discrete.

normalization

N = 0 ???
 Exercise
❑ Consider the particle in the symmetric infinite potential
square well :

▪ Find the wavefunction and energy

spectrum of the particle.
-a/2 a/2
 Exercise
❑ Consider the particle in the potential :

▪ Find the transmission and reflection coefficients in this case.

 Infinite Square Well Potential
❑ Symmetric square well :
 Finite Square Well Potential
❑ Consider a particle of mass m moving in the following
symmetric potential:

-a/2 a/2
 Finite Square Well Potential
❑ Scattering solution : in the case E > V0
▪ Classically, all the particles will
be transmitted, none will be
reflected.
T=1, R=0
▪ The wave function has an
oscillating pattern in all three
regions.
 Finite Square Well Potential
❑ Bound state solution : in the case E < V0
 Finite Square Well Potential
❑ Bound state solution : in the case E < V0

A D
 Finite Square Well Potential
❑ Bound state solution : in the case E < V0

A D
 Finite Square Well Potential
❑ Graphical solution :

• The solution forms a discrete set → discrete energy spectrum.

 Finite Square Well Potential
❑ In limiting case : V0 →∞
Scanning Tunneling Microscope (STM)

Finite square
well potential
 Delta Function Potential
❑ Dirac-delta function : it is an infinite high, infinitesimal
narrow spike whose area is 1.
where :

❑ Delta function property :

𝑓 𝑥 × δ 𝑥 − 𝑎 = 𝑓(𝑎) × 𝛿(𝑥 − 𝑎)
∞

න 𝑓 𝑥 𝛿 𝑥 − 𝑎 𝑑𝑥 = 𝑓(𝑎)
−∞
 Delta Function Potential
❑ Delta potential is a potential well mathematically described
by the Dirac delta function (δ). Qualitatively, it is a potential
which is zero everywhere, except a single point where it takes
an infinite value.
▪ The Delta potential well is a limiting case of the finite
potential well.
𝑉(𝑥) = ±𝑉0 . 𝑎𝛿(𝑥 )
▪ In this case, a→0 (well width), V0 → ∞ (potential barrier) but
the product V0a is constant.
 Delta Function Potential
❑ The Schrodinger’s equation for this well :

❑ At x =0 :
 Delta Function Potential
❑ Bound-state solution : E < 0
2𝑚𝑉 𝑎 2
𝑎→0 2 0
𝑅 = 2
→0
ħ
▪ The only bound state solution is the
lowest energy, even parity solution.
𝑚𝑉02 𝑎2
𝐸=−
2ħ2
▪ The eigenfunction of bound state :
The graph of the bound state
wavefunction solution
 Delta Function Potential
❑ Scattering solution : E > 0

❑ The transmission coefficient :

 Delta Function Potential
❑ Interface between 2 materials :
Exercise
 𝑉=
4𝜋

Delta Function Model of Molecule

❑ How atoms bind into molecules?
▪ Two delta potential function :

Even solution Odd solution

<2
 Delta Function Model of Molecule
❑ Two solutions :
 Periodic Potential
❑ In band structure of solid, the ions occupy positions which
form a regular periodic structure.

V(x)

Crystal lattice Periodic potential

 Periodic Potential
❑ The potential is periodic : 𝑉 𝑥 = 𝑉(𝑥 + 𝑎)
❑ The Schrodinger equation in one-dimensional problem :
ħ2 2
(- 𝛻 + V)ψ x = Eψ(x)
2m
❑ Bloch theorem : the wavefunction solution of the
Schrodinger equation when the potential is periodic can be
written as: 𝑖𝑘𝑥
𝜓 𝑥 =𝑒 𝑢(𝑥)
▪ u(x) is a periodic function which satisfies :
𝑢 𝑥 = 𝑢(𝑥 + 𝑎)
▪ k is crystal phase vector (Bloch phase)
 Periodic Potential
❑ To simplify the problem, we take the potential as :

Kronig-Penny Model
 Periodic Potential
❑ The solution of wavefunction :

kd
Periodic Potential

Band structure of silicon

 Harmonic Oscillator
❑ Classical harmonic oscillator :
𝑑2 𝑥
𝐹 = −𝑘𝑥 → −𝑘𝑥 = 𝑚 2
𝑑𝑡

𝑥 𝑡 = 𝐴𝑠𝑖𝑛 ω𝑡 + 𝐵𝑐𝑜𝑠(ω𝑡)
❑ The potential energy :
1 2 1
𝑉 = 𝑘𝑥 = 𝑚𝜔2 𝑥 2
2 2
 Harmonic Oscillator
▪ Molecular Vibration ▪ Lattice Vibration :
Model : CO2 molecule
 Harmonic Oscillator
❑ The harmonic oscillator is one of those few problems
related to a variety of vibration phenomenon.
▪ The Hamiltonian of a particle of mass m which oscillates
with an angular frequency ω under the influence of a one-
dimensional harmonic potential is :

❑ Solving the time-independent Schrodinger equation :

 Harmonic Oscillator
❑ Analytical solution :

❑ The solution of this equation :

Harmonic Oscillator
 Harmonic Oscillator
❑ Comparison between
classical and quantum
harmonic oscillator : ground
state (n=0) and first excited
state (n=1).
 Harmonic Oscillator
❑ Comparison between
classical and quantum
harmonic oscillator :
▪ For large n, quantum
mechanical results approach
the classical results.
 Harmonic Oscillator
❑ Algebraic method (ladder operator):
෢2
𝑃 1 ෢2
෡=
𝐻 2 ෢2
+ 𝑚𝜔 𝑋 = ෠ 2]
[𝑃 + (𝑚𝜔𝑋)
2𝑚 2𝑚
❑ Using the equation :
𝑢2 + 𝑣 2 = 𝑢2 − 𝑖𝑣 2
= (𝑢 − 𝑖𝑣)(𝑢 + 𝑖𝑣)
❑ We introduce “ladder operator”:
1 1
𝑎+ = −𝑖 𝑃෠ + 𝑚𝜔𝑋෠ , 𝑎− = 𝑖 𝑃෠ + 𝑚𝜔𝑋෠
2ħ𝑚𝜔 2ħ𝑚𝜔
1 ෢ 2 1 1
𝑎− 𝑎+ = 𝑃 + 𝑚𝜔𝑋෠ − 𝑖𝑚𝜔 𝑋,
2 ෠ 𝑃෠ = ෡+
𝐻
2ħ𝑚𝜔 ħ𝜔 2
𝑎− , 𝑎 + = 1
 Harmonic Oscillator
❑ Proof : If ψ satisfies Schrodinger equation with energy E :
෡ = Eψ
𝐻ψ
Then 𝑎± ψ satisfies Schrodinger equation with energy E±ħω :
෡ 𝑎+ ψ = E + ħω 𝑎+ ψ , 𝐻
𝐻 ෡ 𝑎− ψ = E − ħω 𝑎− ψ

❑ Note : The Schrodinger equation can be written as :

1 1
ħ𝜔 𝑎+ 𝑎− + = Eψ ħ𝜔 𝑎− 𝑎+ − = Eψ
2 2
 Harmonic Oscillator
• The “ladder” of states : 𝑎+ is the raising operator and 𝑎− is
lowering operator.
• Find the lowest step of the
ladder :
𝑎 − ψ0 = 0
𝑎+

𝑚𝜔 1/4 −𝑚𝜔𝑥 2
ψ0 (𝑥) = ( ) 𝑒 2ħ 𝑎−
𝜋ħ
1
𝐸0 = ħ𝜔
2
 Harmonic Oscillator
❑ Energy Eigenstates : we can use the operator method to
determine the eigenvectors in terms of ground state |0> (ψ0) :
|1 > = 𝑎+ |0 >
1 1
|2 > = 𝑎+ |1 > = 𝑎+ 2 |0 >
2 2!
1 1
|3 > = 𝑎 |2 > = 𝑎+ 3 |0 >
3 + 3!
….
1 1
|𝑛 > = 𝑎 |𝑛 − 1 > = 𝑎+ 𝑛 |0 >
𝑛 + 𝑛!

1
𝐸𝑛 = (𝑛 + )ℏ𝜔
2
 Harmonic Oscillator
❑ Matrix representation in N-space :
 Harmonic Oscillator
❑ Matrix representation in N-space:
 Harmonic Oscillator

Coherent control of optical phonon, Hiroya Sasaki et al. , Scientific Report 2018
Exercise
THE END!!!
 ψ′ 𝑥 > 0 = −𝐾. ψ 𝑥 → ψ′ 0 + = −𝐾. ψ 0
ψ′ 𝑥 < 0 = 𝐾. ψ(𝑥) → ψ′ 0 − = 𝐾. ψ 0

Type equation here.

−2𝐾. ψ 0 =