Quantum Chemistry – Exercise set 2

1. Wave functions
2. Operators
3. Eigenfunctions and eigenvalues
4. Hermitian operators
5. Other problems
6. Integrals

1. Wave function
Postulate 1: The state of a system is specified completely by a continuous
square-integrable wave function 𝝍. The 1-particle quantity |𝝍|𝟐 𝒅𝒓 is the
probability of finding the particle in a volume element 𝒅𝒓.

a. A particle is confined in a 1-dimensional box of at the region [0, 𝑎]. At time

𝑛𝜋𝑥
𝑡 = 0 it is known to be in the state 𝜓(𝑥, 𝑡 = 0) = 𝑁 sin ( 𝑎
), find N.
We demand:
𝑎
𝑛𝜋𝑥
∫ |𝜓(𝑥, 𝑡 = 0)|2 𝑑𝑥 = 1 = ∫ 𝑁 2 sin2 ( ) 𝑑𝑥
0 𝑎
𝑎 1 − 𝑐𝑜𝑠 (2
𝑛𝜋𝑥
)
=𝑁 ∫2 𝑎 𝑑𝑥
0 2
𝑛𝜋𝑥 𝑎
𝑥 𝑎 𝑠𝑖𝑛 (2 )
= 𝑁 2 ([ ] − [ 𝑎 ] ) = 𝑁2 𝑎 = 1
20 2𝜋 2
2
𝑎 0

2
𝑁=√
𝑎

𝑎
b. What is the probability of finding the particle in the region [0, 2 ]
𝑎/2 𝑎/2
2 2 𝑛𝜋𝑥
𝑃=∫ |𝜓(𝑥, 𝑡 = 0)|2 𝑑𝑥 = ∫ sin ( ) 𝑑𝑥
0 0 𝑎 𝑎
𝑎
𝑎 𝑛𝜋𝑥 𝑎 𝑛𝜋𝑥 2
2 21− 𝑐𝑜𝑠 (2 𝑎 ) 2 𝑥 2 𝑠𝑖𝑛 (2 𝑎 ) 1
= ∫ 𝑑𝑥 = [ ] −[ ] =
𝑎 0 2 𝑎 20 2𝜋 2
2 𝑎
( 0)

c. A free 1D particle (unconfined) is known to be at the state

𝜓(𝑥, 𝑡 = 0) = 𝑁𝑒𝑥𝑝(−𝛼𝑥 2 ) , find N. (see integral 7.1)

∞
We demand ∫ |𝜓(𝑥, 𝑡 = 0)|2 𝑑𝑥 = ∫−∞ 𝑁 2 exp(−2𝛼𝑥 2 ) 𝑑𝑥 = ⋯ =
1
2 𝜋 2𝛼 4
𝑁 √2𝛼 = 1 the final answer is 𝑁 = (𝜋)
 d. For the free 1-D particle, find an expression for the probability of finding it in
the region [𝑎, 𝑏] at time 𝑡 = 0.
𝑏 𝑏
2𝛼
𝑃 = ∫ |𝜓(𝑥, 𝑡 = 0)|2 𝑑𝑥 = ∫ √ exp(−2𝛼𝑥 2 ) 𝑑𝑥
𝑎 𝑎 𝜋
𝑑𝑦
𝑦 = √2𝛼𝑥, 𝑦 2 = 2𝛼𝑥 2 , 𝑑𝑥 =
√2𝛼
𝑏√2𝛼
1
𝑃=∫ exp(−𝑦 2 ) 𝑑𝑦
𝑎√2𝛼 √𝜋
𝑏√2𝛼 𝑎√2𝛼
1 1
=∫ exp(−𝑦 2 ) 𝑑𝑦 − ∫ exp(−𝑦 2 ) 𝑑𝑦
0 √ 𝜋 0 √ 𝜋
1
= [erf(𝑏√2𝑏) − erf(𝑎√2𝑏)]
2

2. Operators:
a. General algebra
Operation
Equal 𝐴̂ = 𝐵̂ 𝐴̂𝑓(𝑥) = 𝐵̂𝑓(𝑥) For any function 𝑓(𝑥)
Product by a scalar (𝛼𝐴̂)𝑓(𝑥) = 𝛼 (𝐴̂𝑓(𝑥))
Sum (𝐴̂ + 𝐵̂)𝑓(𝑥) = 𝐴̂𝑓(𝑥) + 𝐵̂𝑓(𝑥)
product (𝐴̂𝐵̂)𝑓(𝑥) = 𝐴̂ (𝐵̂𝑓(𝑥))
power
𝐴̂𝑛 𝑓(𝑥) = 𝐴̂ (𝐴̂ (… (𝐴̂𝑓(𝑥))))
b. Linear operators:
Definition of Linear operator 𝐴̂(𝛼𝑓(𝑥) + 𝛽𝑔(𝑥)) = 𝛼𝐴̂𝑓(𝑥) + 𝛽𝐴̂𝑔(𝑥)

Determine which of the following operators is linear:

I. 𝐴̂1 = 𝛾𝑥̂
Linear:
𝐴̂1 (𝛼𝑓(𝑥) + 𝛽𝑔(𝑥)) = 𝛾𝑥̂(𝛼𝑓(𝑥) + 𝛽𝑔(𝑥)) = 𝛼𝛾𝑥̂𝑓(𝑥) + 𝛽𝛾𝑥̂𝑔(𝑥)
= 𝛼𝐴̂1 𝑓(𝑥) + 𝛽𝐴̂1 𝑔(𝑥)
𝑑
II. 𝐴̂2 = 𝑝̂ = −𝑖ℏ 𝑑𝑥
Linear:
𝑑
𝐴̂2 (𝛼𝑓(𝑥) + 𝛽𝑔(𝑥)) = −𝑖ℏ (𝛼𝑓(𝑥) + 𝛽𝑔(𝑥))
𝑑𝑥
𝑑 𝑑
= −𝛼𝑖ℏ 𝑓(𝑥) − 𝛽𝑖ℏ 𝑔(𝑥) = 𝛼𝐴̂2 𝑓(𝑥) + 𝛽𝐴̂2 𝑔(𝑥)
𝑑𝑥 𝑑𝑥
𝑑
III. 𝐴̂3 = 𝑑𝑥 𝑥̂
𝑑 𝑑
Linear: 𝐴̂3 (𝛼𝑓(𝑥) + 𝛽𝑔(𝑥)) = 𝑑𝑥 [𝑥(𝛼𝑓(𝑥) + 𝛽𝑔(𝑥))] = 𝑑𝑥 𝑥(𝛼𝑓(𝑥) +
𝑑 𝑑
𝛽𝑔(𝑥)) + 𝑥 (𝛼𝑓(𝑥) + 𝛽𝑔(𝑥)) = 𝛼 (𝑓(𝑥) + 𝑥 𝑓(𝑥)) + 𝛽 (𝑔(𝑥) +
𝑑𝑥 𝑑𝑥
𝑑
𝑥 𝑑𝑥 𝑔(𝑥)) = 𝛼𝐴̂3 𝑓(𝑥) + 𝛽𝐴̂3 𝑔(𝑥)
 IV. 𝐴̂4 𝑓(𝑥) = 𝑓 2 (𝑥)
Non-linear:
2
𝐴̂4 (𝛼𝑓(𝑥) + 𝛽𝑔(𝑥)) = (𝛼𝑓(𝑥) + 𝛽𝑔(𝑥))
= 𝛼 2 𝑓 2 (𝑥) + 2𝛼𝛽𝑔(𝑥)𝛼𝑓(𝑥) + 𝛽 2 𝑔2 (𝑥)
≠ 𝛼𝐴̂2 𝑓(𝑥) + 𝛽𝐴̂2 𝑔(𝑥)

c. The commutator [ , ] definition: [𝐴̂, 𝐵̂] = 𝐴̂𝐵̂ − 𝐵̂𝐴̂.

I. Calculate [𝑝̂𝑥 , 𝑥̂]
𝑑 𝑑 𝑑
[𝑝̂ , 𝑥̂]𝑓(𝑥) = [−𝑖ℏ , 𝑥̂] 𝑓(𝑥) = −𝑖ℏ (𝑥𝑓(𝑥)) − 𝑥 (−𝑖ℏ 𝑓(𝑥))
𝑑𝑥 𝑑𝑥 𝑑𝑥
𝑑 𝑑
= −𝑖ℏ𝑥 (𝑓(𝑥)) − 𝑖ℏ𝑓(𝑥) + 𝑖ℏ𝑥 (𝑓(𝑥)) = −𝑖ℏ𝑓(𝑥)
𝑑𝑥 𝑑𝑥

Since this is true for any differentiable 𝑓(𝑥) it follows that: [𝑝̂ , 𝑥̂] = −𝑖ℏ

𝑑
II. Calculate [cos 𝑥 , ]
𝑑𝑥
𝑑 𝑑 𝑑
[cos 𝑥, ] 𝑓(𝑥) = cos 𝑥 ⋅ 𝑓(𝑥) − (cos 𝑥 ⋅ 𝑓(𝑥))
𝑑𝑥 𝑑𝑥 𝑑𝑥
𝑑𝑓(𝑥) 𝑑𝑓(𝑥)
= cos 𝑥 ⋅ + sin 𝑥 ⋅ 𝑓(𝑥) − cos 𝑥 ⋅ = sin 𝑥 ⋅ 𝑓(𝑥)
𝑑𝑥 𝑑𝑥
𝑑
It follows that: [cos 𝑥, ] = sin 𝑥
𝑑𝑥

1
III. Calculate [𝑝𝑥 , 𝑥]

1 𝑑 1 𝑑 1 1 𝑑𝑓(𝑥)
[𝑝𝑥 , ] 𝑓(𝑥) = −𝑖ℏ [ , ] 𝑓(𝑥) = −𝑖ℏ ( ( ⋅ 𝑓(𝑥)) − ⋅ )
𝑥 𝑑𝑥 𝑥 𝑑𝑥 𝑥 𝑥 𝑑𝑥
1 1 𝑑𝑓(𝑥) 1 𝑑𝑓(𝑥) 1
= −𝑖ℏ (− 2 𝑓(𝑥) + − ) = 𝑖ℏ 2 𝑓(𝑥)
𝑥 𝑥 𝑑𝑥 𝑥 𝑑𝑥 𝑥

d. Prove the following identities (commutators):

i. [𝐴̂, 𝐵̂] = −[𝐵̂, 𝐴̂]
[𝐴̂, 𝐵̂] = 𝐴𝐵 − 𝐵𝐴 = −(𝐵𝐴 − 𝐴𝐵) = −[𝐵, 𝐴]
ii. [𝐴̂ + 𝐵̂, 𝐶̂ ] = [𝐴̂, 𝐶̂ ] + [𝐵̂, 𝐶̂ ]
[𝐴̂ + 𝐵̂, 𝐶̂ ] = (𝐴 + 𝐵)𝐶 − 𝐶(𝐴 + 𝐵) = 𝐴𝐶 + 𝐵𝐶 − 𝐶𝐴 − 𝐶𝐵
= 𝐴𝐶 − 𝐶𝐴 + 𝐵𝐶 − 𝐶𝐵 = [𝐴, 𝐶] + [𝐵, 𝐶]
iii. [𝐴̂, 𝐵̂]𝐶̂ + 𝐵̂[𝐴̂, 𝐶̂ ] = [𝐴̂, 𝐵̂𝐶̂ ]
[𝐴̂, 𝐵̂]𝐶̂ + 𝐵̂[𝐴̂, 𝐶̂ ] = 𝐴𝐵𝐶 − 𝐵𝐴𝐶 + 𝐵𝐴𝐶 − 𝐵𝐶𝐴 = 𝐴𝐵𝐶 − 𝐵𝐶𝐴
= [𝐴, 𝐵𝐶]
3. Eigenfunctions and eigenvalues:
Aim: Show the equivalency between linear algebra and function space algebra
(vectors, matrices. Norm, inner product, linear combination to span, eigen properties)

Definition: if 𝐴̂𝑓(𝑥) = 𝛼𝑓(𝑥) than 𝑓(𝑥) is an eigenfunction of 𝐴̂ with eigenvalue 𝛼

a. If 𝐴̂𝑓(𝑥) = 𝛼𝑓(𝑥)
I. Is 𝛽𝑓(𝑥) an eigenfunction of 𝐴̂? What is its eigenvalue?
Yes:
𝐴̂(𝛽𝑓(𝑥)) = 𝛽 (𝐴̂𝑓(𝑥)) = 𝛽(𝛼𝑓(𝑥)) = 𝛼(𝛽𝑓(𝑥))
Eigenvalue: 𝛼
II. Can you find an eigenfunction for 𝛾𝐴̂? What is its eigenvalue?
Yes, take 𝐵̂ = 𝛾𝐴̂
𝐵̂𝑓(𝑥) = 𝛾𝐴̂𝑓(𝑥) = 𝛾𝛼𝑓(𝑥)
Eigenvalue: 𝛾𝛼

b. 𝑓(𝑥) is an eigenfunction of 𝐴̂ and 𝐵̂

I. Is it an eigenfunction of 𝐴̂ + 𝐵̂ ? If yes, what is its eigenvalue?
Yes:
(𝐴̂ + 𝐵̂)𝑓(𝑥) = 𝐴̂𝑓(𝑥) + 𝐵̂𝑓(𝑥) = 𝛼𝑓(𝑥) + 𝛽𝑓(𝑥) = (𝛼 + 𝛽)𝑓(𝑥)
Eigenvalue: 𝛼 + 𝛽
II. Is it an eigenfunction of 𝐴̂𝐵̂ ? If yes, what is its eigenvalue?
Yes:
𝐴̂𝐵̂𝑓(𝑥) = 𝐴̂(𝛽𝑓(𝑥)) = 𝛽𝐴̂𝑓(𝑥) = 𝛽𝛼𝑓(𝑥)
Eigenvalue: 𝛼𝛽

4. Hermitian operators:
Postulate 2: Every observable A is represented by a linear, Hermitian
̂ , the measurable values are real – they are the eigenvalues of the
operator 𝑨
operator!

Definition: an operator is Hermitian if for any two normalisable functions 𝜙 and 𝜓 :

∗
∫ 𝜙 ∗ (𝐴̂𝜓)𝑑𝑥 = [∫ 𝜓∗ (𝐴̂𝜙)𝑑𝑥 ] = ∫(𝐴𝜙)∗ 𝜓𝑑𝑥
𝒅
I. Show that 𝒑̂ = −𝒊ℏ and 𝒙 ̂ = 𝒙 are Hermitian
𝒅𝒙
𝒅 𝒅 ∗
∫ 𝜙 ∗ (−𝒊ℏ 𝜓) 𝑑𝑥 = −𝑖ℏ[𝜙 ∗ 𝜓]+∞
−∞ − ∫ 𝜙 (−𝒊ℏ𝜓)𝑑𝑥
𝒅𝒙 𝒅𝒙
𝒅 ∗
= 0 + ∫ (𝒊ℏ 𝜙 ) 𝜓𝑑𝑥
𝒅𝒙
∗
𝒅
= ∫ (−𝒊ℏ 𝜙) 𝜓𝑑𝑥
𝒅𝒙
Where we have used integration by parts and the fact that wavefunction
must vanish at ±∞ to allow square-integrability.
∗
[∫ 𝜓 ∗ (𝑥𝜙)𝑑𝑥] = ∫ (𝑥𝜙)∗ 𝜓𝑑𝑥 = ∫ 𝜙 ∗ 𝑥𝜓𝑑𝑥
 Properties Hermitian operators:
I. All eigenvalues are real
II. Eigenfunctions, that correspond to different eigenvalues, are orthogonal:
∫ 𝑓𝑖∗ (𝑥)𝑓𝑗 (𝑥)𝑑𝑥 = 𝐶𝑖 𝛿𝑖𝑗
III. Its eigenfunctions span the entire space (any other function can be
presented as their linear combination (superposition)

Mathematical exercises:
a) Prove that all eigenvalues of a Hermitian operator are real
∗
For a Hermitian operator ∫ 𝜓𝑛∗ 𝐴̂𝜓𝑛 𝑑𝑥 = ∫(𝐴̂𝜓𝑛 ) 𝜓𝑛 𝑑𝑥
Applying the eigenvalue equation 𝐴̂𝜓𝑛 = 𝑎𝜓𝑛
∫ 𝜓𝑛∗ 𝑎𝜓𝑛 𝑑𝑥 = ∫ (𝑎𝜓𝑛 )∗ 𝜓𝑛 𝑑𝑥
𝑎∫ 𝜓𝑛∗ 𝜓𝑛 𝑑𝑥 = ∫ 𝑎∗ 𝜓𝑛∗ 𝜓𝑛 𝑑𝑥
𝑎∫ 𝜓𝑛∗ 𝜓𝑛 𝑑𝑥 = 𝑎∗ ∫ 𝜓𝑛∗ 𝜓𝑛 𝑑𝑥
𝑎 = 𝑎∗
a is real !!

II. ̂ is Hermitian, Prove that 𝜶𝑶

𝑶 ̂ is Hermitian, if 𝜶 is a real scalar:

∗
We demand: ∫ 𝜙 ∗ (𝛼𝑂̂𝜓)𝑑𝑥 = [∫ 𝜓 ∗ (𝛼𝑂̂𝜙)𝑑𝑥 ]
The r.h.s ∫ 𝜙 ∗ (𝛼𝑂̂𝜓)𝑑𝑥 = 𝛼∫ 𝜙 ∗ (𝑂̂𝜓)𝑑𝑥
∗ ∗
The l.h.s : [∫ 𝜓∗ (𝛼𝑂̂𝜙)𝑑𝑥] = 𝛼 ∗ [∫ 𝜓 ∗ (𝑂̂𝜙)𝑑𝑥 ]
Since is real 𝛼 = 𝛼 ∗ and 𝑂̂ is Hermitian
∗
∫ 𝜙 ∗ (𝑂̂𝜓)𝑑𝑥 = [∫ 𝜓 ∗ (𝑂̂𝜙)𝑑𝑥 ]
this is satisfied:
∗
𝛼∫ 𝜙 ∗ (𝑂̂𝜓)𝑑𝑥 = 𝛼 ∗ [∫ 𝜓∗ (𝑂̂𝜙)𝑑𝑥 ]

III. ̂ and 𝑩
𝑨 ̂ are Hermitian. Prove that 𝑨
̂+𝑩̂ is Hermitian
∗
We demand: ∫ 𝜙 ∗ ((𝐴̂ + 𝐵̂)𝜓) 𝑑𝑥 = [∫ 𝜓 ∗ ((𝐴̂ + 𝐵̂)𝜙) 𝑑𝑥 ]
The sum can be separated:
∗ ∗
∫ 𝜙 ∗ (𝐴̂𝜓)𝑑𝑥 + ∫ 𝜙 ∗ (𝐵̂𝜓)𝑑𝑥 = [∫ 𝜓∗ (𝐴̂𝜙)𝑑𝑥 ] +[∫ 𝜓 ∗ (𝐵̂𝜙)𝑑𝑥 ]
which is correct because 𝐴̂ and 𝐵̂ are Hermitian.

IV. Prove that two eigenfunctions with distinct eigenvalues are orthogonal.

If Hermitian:
∗
∫ 𝜓1∗ 𝑂̂𝜓2 𝑑𝑥 = ∫ (𝑂̂ 𝜓1 ) 𝜓2 𝑑𝑥

So:

∫ 𝜓1∗ 𝑂̂𝜓2 𝑑𝑥 = ∫ 𝜓1∗ 𝜆2 𝜓2 𝑑𝑥 = 𝜆2 ∫ 𝜓1∗ 𝜓2 𝑑𝑥

∗
∫ (𝑂̂ 𝜓1 ) 𝜓2 𝑑𝑥 = ∫ (𝜆1 𝜓1 )∗ 𝜓2 𝑑𝑥 = 𝜆1 ∫ 𝜓1∗ 𝜓2 𝑑𝑥

Since 𝜆1 ≠ 𝜆2 then we must have ∫ 𝜓1∗ 𝜓2 𝑑𝑥 = 0

 V. ̂ and 𝑩
𝑨 ̂ are Hermitian. State whether 𝑨
̂𝑩̂ is Hermitian, under what
condition?

For a Hermitian operator:

∗
∫ 𝜙 ∗ (𝐴̂𝜓)𝑑𝑥 = [∫ 𝜓∗ (𝐴̂𝜙)𝑑𝑥 ]
Lets begin with 𝐼 = ∫ 𝜙 ∗ (𝐴̂𝐵̂𝜓)𝑑𝑥 if we treat 𝐵̂𝜓 as a function by its own
and A is Hermitian we can write
∗ ∗ ∗
𝐼 = ∫ (𝜙 ∗ )𝐴̂(𝐵̂𝜓)𝑑𝑥 = [∫ (𝐵̂𝜓) (𝐴̂𝜙)𝑑𝑥 ] = ∫ (𝐴̂𝜙) (𝐵̂𝜓)𝑑𝑥
Since 𝐵̂ is also Hermitian we can make this procedure again:
∗ ∗
𝐼 = ∫ (𝐴̂𝜙) 𝐵̂(𝜓)𝑑𝑥 = [∫ Ψ ∗ 𝐵̂𝐴̂𝜙 𝑑𝑥 ]
We got:
∗
𝐼 = ∫ 𝜙 ∗ 𝐴̂𝐵̂𝜓𝑑𝑥 = [∫ Ψ ∗ 𝐵̂𝐴̂𝜙 𝑑𝑥 ]
But in order for it to be Hermitian we demand
∗
𝐼 = [∫ Ψ ∗ 𝐴̂𝐵̂𝜙 𝑑𝑥 ]
This true only if 𝐴̂𝐵̂ = 𝐵̂𝐴̂ or [𝐴̂, 𝐵̂] = 0

5. Back to Physical questions:

𝑝̂2
a. The kinetic energy is defined as 𝑇̂ = , what are the values we can
2𝑚
measure for the kinetic energy of the confined particle of Q.1a
2 𝑛𝜋𝑥
𝜓(𝑥) = √ sin ( )
𝑎 𝑎

𝑝̂ 2 ℏ2 𝑑2 ℏ2 𝑑2 2 𝑛𝜋𝑥
𝑇̂𝜓(𝑥) = 𝜓(𝑥) = − 2
𝜓(𝑥) = − 2
(√ sin ( ))
2𝑚 2𝑚 𝑑𝑥 2𝑚 𝑑𝑥 𝑎 𝑎

ℏ2 𝑛𝜋 𝑑 2 𝑛𝜋𝑥
=− ( ) (√ cos ( ))
2𝑚 𝑎 𝑑𝑥 𝑎 𝑎

ℏ2 𝑛𝜋 2 2 𝑛𝜋𝑥
= ( ) (√ sin ( ))
2𝑚 𝑎 𝑎 𝑎
ℏ2 𝑛𝜋 2
Therefore we can only measure 𝑇 = 2𝑚 ( 𝑎 )

b. Let's return to the confined particle of Q. 1. We measure its momentum,

what are the possible values we can get?

𝑖𝑛𝜋𝑥 𝑖𝑛𝜋𝑥
2 𝑛𝜋𝑥 2 𝑒 𝑎 − 𝑒− 𝑎
𝜓(𝑥) = √ sin ( )=√ ( )
𝑎 𝑎 𝑎 2𝑖
 𝑒 𝑖𝑘𝑥 is an eigenfunction of 𝑝̂ with ℏ𝑘 as an eigenvalue:
𝑑
−𝑖ℏ 𝑑𝑥 𝑒 𝑖𝑘𝑥 = ℏ𝑘 𝑒 𝑖𝑘𝑥 .
We expanded 𝜓(𝑥) as a sum of eigenfunctions of 𝑝̂ , now it is
𝑛𝜋
clear that the possible measurements are 𝑝 = ℏ 𝑎 and
𝑛𝜋
𝑝 = −ℏ 𝑎

c. Advanced Optional Question:

Let’s return to the free particle of Q. 1. We measure its momentum, what
are the possible values we can get? A hint : you should present it as a
sum of eigenfunctions of momentum (Fourier transform)
1
2𝛼 4
The Fourier transform of 𝜓(𝑥) = ( 𝜋 ) 𝑒𝑥𝑝(−𝛼𝑥 2 ) is 𝐺(𝑘) =
1 1 2
𝑘
2𝛼 4 1 ∞ 2 2𝛼 4 1
( 𝜋 ) 2𝜋 ∫−∞ 𝑒 −𝛼𝑥 𝑒 −𝑖𝑘𝑥 𝑑𝑥 = ( 𝜋 ) 2𝑎 𝑒 −4𝑎
√ √
1 2
2𝛼 4 1 1 ∞ −𝑘 𝑖𝑘𝑥
Therefore we can write 𝜓(𝑥) = ( 𝜋 ) ∫ 𝑒 4𝑎 𝑒 𝑑𝑘 we presented
√2𝑎 √2𝜋 −∞
𝜓(𝑥) as a sum of eigenfunctions of 𝑝̂ and we can see that any value can be
measured ( we haven't discussed the probability but it proportioonal to the
squre of the coefficient (a guassian)

6. Important Integrals:
∞
a. 𝐼 = ∫−∞ exp(−𝛼𝑥 2 ) 𝑑𝑥

𝜋
And 𝐼 = √
𝛼
∞
b. 𝐼2 = ∫−∞ exp(−𝛼𝑥 2 + 𝛽𝑥 + 𝛾) 𝑑𝑥
Use:
−𝛼𝑥 2 + 𝛽𝑥 + 𝛾 = −𝑎(𝑥 + 𝑏)2 + 𝑐

Here we first rewrite

−𝛼𝑥 2 + 𝛽𝑥 + 𝛾 = −𝑎(𝑥 + 𝑏)2 + 𝑐
To find 𝑎, 𝑏, 𝑐 we write the r.h.s :
−𝛼𝑥 2 + 𝛽𝑥 + 𝛾 = −𝑎𝑥 2 − 2𝑎𝑏𝑥 − 𝑎𝑏 2 + 𝑐
𝛽 𝛽 𝛽2
Therefor: 𝑎 = 𝛼; 𝑏 = − 2𝑎 = − 2𝛼 ; 𝑐 = 𝛾 + 𝑎𝑏 2 = 𝛾 + 4𝛼
∞
Now we solve 𝐼2 = ∫−∞ exp(−𝑎(𝑥 + 𝑏)2 + 𝑐) 𝑑𝑥
 ∞
𝜋
𝐼2 = exp(𝑐) ∫ exp(−𝑎(𝑥 + 𝑏)2 ) 𝑑𝑥 = 𝑒 𝑐 √
−∞ 𝛼
𝛽2 𝜋
𝐼2 = 𝑒 𝛾+4𝛼 √
𝛼
∞
c. 𝐼3 = ∫−∞ xexp(−𝛼𝑥 2 ) 𝑑𝑥
This is easy because we have in integral of a symmetric function
multiplied by an anti-symmetric function. Therefore
∞
𝐼3 = ∫−∞ xexp(−𝛼𝑥 2 ) 𝑑𝑥=0
We can also use the fact that the indefinite integral is simple
exp(−𝛼𝑥 2 )
∫ xexp(−𝛼𝑥 2 ) 𝑑𝑥 = − + 𝑐𝑜𝑛𝑠𝑡 to aquire the same result
2𝛼

∞
d. 𝐼4 = ∫0 xexp(−𝛼𝑥 2 ) 𝑑𝑥
here we just need to use the indefinite integral to get
exp(−𝛼02 ) 1
𝐼4 = 0 − (− )=
2𝛼 2𝛼
∞ 2 2)
e. 𝐼5 = ∫−∞ x exp(−𝛼𝑥 𝑑𝑥
𝜕
Use: xexp(−𝛼𝑥 2 ) = − (exp(−𝛼𝑥 2 ))
𝜕𝛼
∞ 𝜕
Here we notice that 𝐼5 = ∫−∞ − 𝜕𝛼 (exp(−𝛼𝑥 2 ))𝑑𝑥
We are allowed to interchange the order of derivative and integral:
𝜕 ∞ 𝜕 1 √𝜋 √𝜋
− 𝜕𝛼 (∫−∞ exp(−𝛼𝑥 2 ) 𝑑𝑥 ) = − 𝜕𝛼 𝐼 = − (− 2 3 ) = 2𝛼
𝛼2 √𝛼