CHEM 313

1.24.2018
 Phase of a Wavefunction

• Any coefficient that multiplies the entire wavefunction but does not have an effect on the
probability density
• Phase factor ‘a’
2
• Any number that satisfies 𝑎 = 𝑎∗ 𝑎 = 1
 Euler Formula

• 𝑒 𝑖𝜙 = 𝑐𝑜𝑠𝜙 + 𝑖𝑠𝑖𝑛𝜙
• For any value of 𝜙 , 𝑒 𝑖𝜙 𝑒 −𝑖𝜙 = 1
• This is a useful construct because while the phase factor will vary, the probability density and
measurable properties will be identical as phi changes
Kinetic Energy, Momentum, Position
ℏ2 𝜕
෡=
•𝐾 −
2𝑚 𝜕𝑥 2

𝜕
• 𝑝Ƹ = −𝑖ℏ
𝜕𝑥

• Do these operators commute?

• Do 𝑝Ƹ and 𝑥ො commute?
Quantum Average Value Theorum
መ 𝑑𝜏
• 𝐴 = ‫𝜓𝐴 ∗ 𝜓 ׬‬
1-d position
• If the operator is 𝑥ො
‫𝑥 ׬‬ψ∗ ψ𝑑𝜏
• 𝑥 =
‫ ׬‬ψ∗ ψ𝑑𝜏

• We have generated an expectation value for ‘x’

Energy
• The operator that generates the energy of a system is called the
Hamiltonian.
• Defining the Hamiltonian for a system is critical to solving any
quantum mechanics problem.
• Select coordinate system
• Write a detailed Hamiltonian (kinetic energy operator and potential energy
function)
෡ = 𝐸ψ.
• Solve the equation, 𝐻ψ
A single charged particle of mass ‘m’ in a
magnetic field
• 𝐸 =𝑇+𝑉
𝑝2 1
•𝑇= = 𝑝𝑥 2 + 𝑝𝑦 2 + 𝑝𝑧 2
2𝑚 2𝑚
• When the state function is an eigenvalue of a particular operator, a
measurement of the corresponding physical property will yield the
eigenvalue
Particle in a 1-dimensional box
More on p-i-a-b
• Particle has mass ‘m’
• Particle cannot scale the infinitely high walls
• Particle has no probability of being found at either border (x=0 or x=L)
• Position of particle: 0<𝑥<𝐿
General form of Schrodinger equation
෡ = 𝐸ψ
• 𝐻ψ