Section 3: 1D Schrödinger Equation

In these slides we will cover:

• The time-independent Schrödinger equation
• Boundary and continuity conditions for 𝜓(𝑥)
• Solutions for an infinite potential well
• Solutions for bound states of a finite potential well
• Solutions for a harmonic oscillator
• Ladder operators for the harmonic oscillator
• Representation of a free particle in 1 dimension
• Beams of particles incident on a potential step or barrier
 Square potential wells
The time-independent Schrödinger equation

• We saw in the last Section that solutions to the Schrödinger

equation for a particle moving in a 1D potential 𝑉 𝑥 are,

Ψ 𝑥, 𝑡 = 𝜓𝑛 𝑥 𝑒 −𝑖𝐸𝑛 𝑡/ℏ

• Here, 𝜓𝑛 (𝑥) are solutions to the time-independent

Schrödinger equation:
ℏ2 𝑑2 𝜓𝑛 𝑥
− 2
+ 𝑉 𝑥 𝜓𝑛 𝑥 = 𝐸𝑛 𝜓𝑛 (𝑥)
2𝑚 𝑑𝑥
෡ 𝑛 = 𝐸𝑛 𝜓𝑛 in terms of the Hamiltonian
• This equation is just 𝐻𝜓
෡ i.e. 𝜓𝑛 (𝑥) are energy eigenfunctions with eigenvalues 𝐸𝑛
𝐻,
 Square potential wells
Boundary and continuity conditions for 𝝍
• The solutions of a differential
equation (such as the Schrödinger
equation) always require
boundary conditions
• For the Schrödinger equation,
there are 2 boundary conditions:

1. The wavefunction 𝝍 must be a continuous function – that is,

include no sudden jumps – since it represents a probability

2. If 𝜓 is continuous, then the Schrödinger equation implies that

𝒅𝝍
must also be continuous, except at an infinite jump in 𝑉(𝑥)
𝒅𝒙
 Square potential wells
Infinite square well: eigenfunctions and eigenvalues
• The classical example of a 𝑉 = ∞ 𝑉(𝑥) 𝑉=∞
potential well is the infinite
square well you have met
𝑉=0
before. Let’s recap it … 𝑥
−𝐿 0 +𝐿
ℏ2 𝑑 2 𝜓
• The Schrödinger Equation for 𝑥 < 𝐿, where 𝑉 = 0, is − = 𝐸 𝜓,
2𝑚 𝑑𝑥 2
which has solutions 𝜓 = 𝑁 sin 𝑘𝑥 or 𝜓 = 𝑁 cos 𝑘𝑥, where 𝑘 2 = 2𝑚𝐸/ℏ2
• Since 𝑉 = ∞ for 𝑥 > 𝐿 there is zero probability in this region so, since 𝜓 is
continuous, the wavefunctions must satisfy 𝜓 = 0 at 𝑥 = ±𝐿
1
• Hence 𝑘𝐿 = 𝑛𝜋, where 𝑛 = 1,3, … (for cos 𝑘𝑥) or 𝑛 = 2,4, … (for sin 𝑘𝑥)
2

1 cos 𝑛𝜋𝑥 𝑛 2 𝜋 2 ℏ2
• Normalising, we find 𝜓𝑛 = 𝐿 sin 2𝐿
with energy eigenvalues 𝐸𝑛 =
8𝑚𝐿2
 Square potential wells
Infinite square well: eigenfunctions and eigenvalues
• Here are the shapes of the
energy eigenfunctions for
the infinite potential well
(Each one is offset along
the 𝑦-axis for clarity)

• They are sin 𝑘𝑥 or cos 𝑘𝑥

functions, which always
satisfy 𝜓 = 0 at the edges

Image credit:
https://opentextbc.ca/universityphysic
sv3openstax/chapter/the-quantum-
particle-in-a-box/
 Square potential wells
Bound states of a finite square well

• Now let’s consider a particle with energy 𝐸 in a finite square

potential well of depth 𝑉0 (where 𝐸 < 𝑉0 ), which looks like:
𝑉(𝑥)
A “bound state” 𝑉0
means that the
energy of particle
satisfies 𝐸 < 𝑉𝑜
𝑥
−𝐿 0 +𝐿

• Classically speaking, the particle would not cross into 𝑥 > 𝐿,

since 𝐸 < 𝑉0 . However, this is not true in Quantum Mechanics
– particles can appear in the forbidden region!
 Square potential wells
Bound states of a finite square well

• We can determine the wavefunction by solving the

Schrödinger equation and applying the boundary conditions
In the region 𝑥 < 𝐿: In the region 𝑥 > 𝐿:
ℏ2 𝑑 2 𝜓 ℏ2 𝑑 2 𝜓
• 𝑉 = 0, so + 𝐸𝜓 = 0 • 𝑉 = 𝑉0 , so − (𝑉0 − 𝐸)𝜓 = 0
2𝑚 𝑑𝑥 2 2𝑚 𝑑𝑥 2
(note the sign change compared to
• Solutions are 𝜓 = 𝐴 cos 𝑘𝑥 or 𝑥 < 𝐿, since 𝑉0 > 𝐸)
𝜓 = 𝐴 sin 𝑘𝑥
• Solutions are 𝜓 = 𝐴𝑒 𝑙𝑥 or 𝜓 = 𝐴𝑒 −𝑙𝑥
• 𝑘 2 = 2𝑚𝐸/ℏ2
• 𝑙 2 = 2𝑚(𝑉0 − 𝐸)/ℏ2
• There is hence a family of even
solutions (symmetric in 𝑥, • Since 𝜓 → 0 as 𝑥 → ±∞ if 𝜓 tells us
cos 𝑘𝑥) and odd solutions (anti- probability, we need 𝜓 ∝ 𝑒 −𝑙𝑥 for
symmetric in 𝑥, sin 𝑘𝑥) 𝑥 > 𝐿 and 𝜓 ∝ 𝑒 𝑙𝑥 for 𝑥 < −𝐿
 Square potential wells
Bound states of a finite square well

• We can determine the wavefunction by solving the

Schrödinger equation and applying the boundary conditions
• For example, the even solutions:
𝑉0 𝜓𝐴 (𝑥) = 𝐴 cos 𝑘𝑥 for 𝑥 < 𝐿 and
𝜓𝐵 (𝑥) = 𝐵𝑒 −𝑙𝑥 for 𝑥 > 𝐿

• 𝜓 is continuous at 𝑥 = 𝐿 → 𝜓𝐴 (𝐿) =
𝜓𝐵 (𝐿) → 𝐴 cos 𝑘𝐿 = 𝐵𝑒 −𝑙𝐿
𝑑𝜓
• is continuous at 𝑥 = 𝐿→
𝑑𝑥
𝑑𝜓𝐴 𝑑𝜓𝐵
𝐿 = 𝐿 →
𝑑𝑥 𝑑𝑥
−𝑙𝐿
𝑘𝐴 sin 𝑘𝐿 = 𝑙𝐵𝑒
Comparing the lowest energy eigenfunctions of the • Combining these → 𝑘 tan 𝑘𝐿 = 𝑙
infinite potential well and finite potential well from which we can find the energy
(Image credit: http://hyperphysics.phy-astr.gsu.edu)
 The harmonic oscillator
Definition of the harmonic oscillator
• The harmonic oscillator is a particle moving in a 1D potential
1
𝑉 𝑥 = 𝑘𝑥 2 – classically, this is like a mass on a spring
2
𝑉(𝑥)

• Classically, a particle would oscillate to-and-fro with “simple

harmonic motion” 𝑥 𝑡 = 𝐴 cos 𝜔𝑡, where 𝜔2 = 𝑘/𝑚, and its
motion would be restricted to 𝑥 < 𝐴, where 𝐴 = 2𝐸/𝑘
 The harmonic oscillator
The Schrödinger equation for the harmonic oscillator
• In Quantum Mechanics, the particle does not have a definitive
location, it can be found outside the classically-permitted
region, and its energy is restricted to discrete values!

• The energy eigenfunctions 𝜓(𝑥) of the particle satisfy the

time-independent Schrödinger equation (using 𝜔2 = 𝑘/𝑚):
ℏ2 𝑑 2 𝜓 𝑥 1 2 𝑥 2 𝜓 𝑥 = 𝐸 𝜓(𝑥)
− + 𝑚𝜔
2𝑚 𝑑𝑥 2 2
−𝑎𝑥 2
• By simple substitution we find that 𝜓1 (𝑥) ∝ 𝑒 is a solution
1
of this equation with energy 𝐸1 = ℏ𝜔, where 𝑎 = 𝑚𝜔/2ℏ.
2
This is actually the ground state (lowest energy state)
 The harmonic oscillator
Ladder operators for the harmonic oscillator
• A cunning method of finding the other energy eigenfunctions,
whilst using the concept of operators from the previous
Section, is to introduce the ladder operators 𝐴መ + and 𝐴መ − :
𝑚𝜔 𝑖 1 𝑑
𝐴መ + = 𝑥ො − 𝑝Ƹ = 𝑎 𝑥 −
2ℏ 2𝑚𝑤ℏ 2 𝑎 𝑑𝑥

𝑚𝜔 𝑖 1 𝑑
𝐴መ − = 𝑥ො + 𝑝Ƹ = 𝑎 𝑥 +
2ℏ 2𝑚𝑤ℏ 2 𝑎 𝑑𝑥
𝑑
• In the above equations, 𝑥ො = 𝑥 and 𝑝Ƹ = −𝑖ℏ are the usual
𝑑𝑥
operators for position and momentum, and we have used the
constant 𝑎 = 𝑚𝜔/2ℏ from the previous slide
 The harmonic oscillator
Ladder operators for the harmonic oscillator

• For example, the result of applying the operator 𝐴መ + on a

1 𝑑𝑓
function 𝑓(𝑥) is the new function 𝐴መ + 𝑓 = 𝑎𝑥𝑓 −
2 𝑎 𝑑𝑥

• Again by substitution, we find that the function 𝜓2 𝑥 =

2
መ
𝐴+ 𝜓1 𝑥 ∝ 𝑥 𝑒 −𝑎𝑥 is also a solution of the Schrödinger
3
equation for the harmonic oscillator, with energy 𝐸2 = ℏ𝜔
2

∞
መ
• You can show that 𝜓1 (𝑥) ∝ 𝐴− 𝜓2 (𝑥) and ‫׬‬−∞ 𝜓1∗ 𝜓2 𝑑𝑥 = 0

• The operator 𝐴መ + creates energy eigenfunctions of higher

energy, and 𝐴መ − creates eigenfunctions of lower energy – we
are moving up and down the “ladder” of energy states
 The harmonic oscillator
Ladder operators for the harmonic oscillator
• The energy levels of the
harmonic oscillator are
1
given by 𝐸𝑛 = 𝑛 − ℏ𝜔
2
where 𝑛 = 1,2,3, …

• Here is an illustration of the

ladder of states including
another gratituous picture
of a cat:

Image credit:
https://www.lessthanepsilon.net/second
-quantization/
 The harmonic oscillator
Harmonic oscillator summary
• Here’s a representation of the first few energy eigenfunctions:

Again, the energy

eigenfunctions are
alternating even
(symmetric)
functions and odd
(anti-symmetric)
functions of 𝑥

Image credit: http://hyperphysics.phy-astr.gsu.edu/hbase/quantum/hosc5.html

 The harmonic oscillator
Commutation relations and energy levels
• Non-examinable: We can use some operator relations to prove the general
result that 𝐴መ + 𝜓 is the eigenfunction of the next energy level up. We start
with some useful relations we can show using the forms of 𝐴መ + and 𝐴መ − :
1
෡ = ℏ𝜔 𝐴መ + 𝐴መ − +
𝐻 𝐴መ − , 𝐴መ + = 1
2
• This then enables us to find (using 𝐴መ 𝐵,෠ 𝐶መ = 𝐴መ 𝐵,
෠ 𝐶መ + 𝐴, መ 𝐶መ 𝐵)
෠

෡ 𝐴መ + = ℏ𝜔 𝐴መ + 𝐴መ − , 𝐴መ + = ℏ𝜔 𝐴መ − , 𝐴መ + 𝐴መ + = ℏ𝜔𝐴መ +
𝐻,
෡ = 𝐸𝜓), let’s then consider
• If 𝜓 is an energy eigenfunction (𝐻𝜓

෡ 𝐴መ + 𝜓 = 𝐻,
𝐻 ෡ 𝐴መ + 𝜓 + 𝐴መ + 𝐻𝜓
෡ = ℏ𝜔𝐴መ + 𝜓 + 𝐸 𝐴መ + 𝜓 = 𝐸 + ℏ𝜔 𝐴መ + 𝜓

• Hence, 𝐴መ + 𝜓 is an energy eigenfunction with energy 𝐸 + ℏ𝜔, proving our

initial statement
 Unbound particles in 1D
Representation of a free particle
• We now consider 1D unbound problems, where “unbound”
means that particles are able to escape to infinity

• We first note that a solution of the time-dependent

Schrödinger equation for a “free particle” (in a region where
𝑉 𝑥 = 0) is 𝑒 𝑖𝑘𝑥 implies a wave travelling in
the +𝑥 direction – 𝑒 −𝑖𝑘𝑥 would
Ψ 𝑥, 𝑡 = 𝑒 𝑖(𝑘𝑥−𝜔𝑡) be travelling towards −𝑥

ℏ2 𝜕 2 Ψ 𝜕Ψ 2𝑚𝐸 𝐸
• (This satisfies − = 𝑖ℏ where 𝑘2 = and 𝜔 = )
2𝑚 𝜕𝑥 2 𝜕𝑡 ℏ2 ℏ

• This function represents a wave – that is, a beam of particles

with definite momentum, but no definite position
 Unbound particles in 1D
Representation of a free particle
• How should we normalise the free-particle wavefunction
∞
Ψ 𝑥, 𝑡 = 𝑁𝑒 𝑖(𝑘𝑥−𝜔𝑡) ? We can see that, ‫׬‬−∞ Ψ 2 𝑑𝑥 = ∞ !

• The normalisation 𝑁 indicates the “average separation of

particles in the beam” or the “intensity of the beam”

• In a classical picture … 𝐿

1
• If 𝑁 = , then we find 1 particle per distance 𝐿. Since the
𝐿
1 𝟐
intensity of the beam is ∝ , then intensity ∝ 𝑵
𝐿
 Unbound particles in 1D
Particles incident on a potential step
• We can use the free particle wavefunction to describe a beam
of particles (with energy 𝐸 > 𝑉0 ) incident on a potential step:
𝑉(𝑥) Transmitted Ψ𝑇
Incident Ψ𝐼
𝑉0
Reflected Ψ𝑅

𝑥
• We can assume the following forms for the solution:
2𝑚𝐸
Incident beam: Ψ𝐼 𝑥, 𝑡 = 𝐼 𝑒 𝑖 𝑘𝑥−𝜔𝑡 𝑘2 = 2
ℏ
Reflected beam: Ψ𝑅 𝑥, 𝑡 = 𝑅 𝑒 𝑖 −𝑘𝑥−𝜔𝑡
2𝑚 𝐸 − 𝑉0
𝑙2 =
Transmitted beam: Ψ𝑇 𝑥, 𝑡 = 𝑇 𝑒 𝑖 𝑙𝑥−𝜔𝑡
ℏ2
 Unbound particles in 1D
Particles incident on a potential step
• The general form of the wavefunctions are then,
Region 𝑥 < 0: Ψ1 𝑥, 𝑡 = Ψ𝐼 + Ψ𝑅 = 𝐼 𝑒 𝑖𝑘𝑥 + 𝑅 𝑒 −𝑖𝑘𝑥 𝑒 −𝑖𝜔𝑡
Region 𝑥 > 0: Ψ2 𝑥, 𝑡 = Ψ𝑇 = 𝑇 𝑒 𝑖𝑙𝑥 𝑒 −𝑖𝜔𝑡
• We now apply the two boundary conditions at 𝑥 = 0:

Ψ is continuous at 𝑥 = 0 ⟹ Ψ1 0, 𝑡 = Ψ2 0, 𝑡 ⟹ 𝐼 + 𝑅 = 𝑇
𝜕Ψ 𝜕Ψ1 𝜕Ψ2
is continuous at 𝑥 = 0 ⟹ 0, 𝑡 = 0, 𝑡 ⟹ 𝑘𝐼 − 𝑘𝑅 = 𝑙𝑇
𝜕𝑥 𝜕𝑥 𝜕𝑥

• Re-arranging, we obtain the reflected/transmitted amplitudes:

𝑇 2 𝑅 1 − 1 − 𝑉0 /𝐸
= =
𝐼 1 + 1 − 𝑉0 /𝐸 𝐼 1 + 1 − 𝑉0 /𝐸
 Unbound particles in 1D
Quantum tunnelling
• If we apply these methods to a potential barrier (𝑉0 > 𝐸) we
will find quantum tunnelling – some particles reach 𝑥 > 𝐿!
𝑉(𝑥) Classically, no particles
𝑉0 would reach here!
Particle beam approaching Quantum Mechanics
with energy 𝐸 < 𝑉0 says differently …

𝑥
0 𝐿

Since 𝐸 < 𝑉0 , note that the general solution to the Schrödinger

equation in the barrier region is Ψ 𝑥, 𝑡 = 𝐴𝑒 𝑙𝑥 + 𝐵𝑒 −𝑙𝑥 𝑒 −𝑖𝜔𝑡 ,
not Ψ 𝑥, 𝑡 = 𝐴𝑒 𝑖𝑙𝑥 + 𝐵𝑒 −𝑖𝑙𝑥 𝑒 −𝑖𝜔𝑡 – one way to see that is to
2𝑚 𝐸−𝑉0
notice that 𝑙 2 = (2 slides ago) is negative when 𝐸 < 𝑉0
ℏ2
 Summary
• Energy eigenfunctions always satisfy the time-independent
ℏ2 𝑑 2 𝜓 𝑥
Schrödinger equation,− 2𝑚 𝑑𝑥 2 + 𝑉 𝑥 𝜓 𝑥 = 𝐸𝜓(𝑥)
Square potential 𝑑𝜓
• 𝜓(𝑥) is continuous everywhere, and 𝑑𝑥 is continuous
wells except where there is an infinite jump in 𝑉(𝑥)
sin
• Bound solutions for potential wells are 𝜓(𝑥) ∝ cos 𝑘𝑥

• Particles can be found in classically forbidden regions

• Solutions for the harmonic oscillator potential 𝑉 𝑥 =

1 2 are 𝜓 𝑥 ∝ polynomial in 𝑥 ∙ 𝑒 −𝑎𝑥 2
𝑘𝑥
The harmonic 2
1
oscillator • Energy levels are quantised as 𝐸𝑛 = 𝑛 − 2 ℏ𝜔
• Ladder operators 𝐴መ + and 𝐴መ − transform between states

• A free particle beam is described by Ψ 𝑥, 𝑡 = 𝑁𝑒 𝑖(𝑘𝑥−𝜔𝑡) ,

Unbound particles where the intensity of the beam is proportional to 𝑁 2
in 1D • Continuity conditions can be used to determine reflection
and transmission coefficients at potential steps/barriers