List of equations in quantum mechanics

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Template:Short description

Template:Sidebar with collapsible lists This article summarizes equations in the theory of quantum mechanics.

Wavefunctions

A fundamental physical constant occurring in quantum mechanics is the Planck constant, h. A common abbreviation is Template:Nowrap, also known as the reduced Planck constant or Dirac constant.

Quantity (common name/s) (Common) symbol/s Defining equation SI unit Dimension
Wavefunction ψ, Ψ To solve from the Schrödinger equation varies with situation and number of particles
Wavefunction probability density ρ ρ=|Ψ|2=Ψ∗Ψ m−3 [L]−3
Wavefunction probability current j Non-relativistic, no external field:

𝐣=−iℏ2m(Ψ∗∇Ψ−Ψ∇Ψ∗)=ℏmIm⁡(Ψ∗∇Ψ)=Re⁡(Ψ∗ℏim∇Ψ)

star * is complex conjugate

m−2⋅s−1 [T]−1 [L]−2

The general form of wavefunction for a system of particles, each with position ri and z-component of spin sz i. Sums are over the discrete variable sz, integrals over continuous positions r.

For clarity and brevity, the coordinates are collected into tuples, the indices label the particles (which cannot be done physically, but is mathematically necessary). Following are general mathematical results, used in calculations.

Property or effect Nomenclature Equation
Wavefunction for N particles in 3d Template:Plainlist
  • r = (r1, r2... rN)
  • sz = (sz 1, sz 2, ..., sz N)

Template:Endplainlist

In function notation:

Ψ=Ψ(𝐫,𝐬𝐳,t)

in bra–ket notation: |Ψ⟩=∑sz1∑sz2⋯∑szN∫V1∫V2⋯∫VNd𝐫1d𝐫2⋯d𝐫NΨ|𝐫,𝐬𝐳⟩

for non-interacting particles:

Ψ=∏n=1NΨ(𝐫n,szn,t)

Position-momentum Fourier transform (1 particle in 3d) Template:Plainlist
  • Φ = momentum–space wavefunction
  • Ψ = position–space wavefunction

Template:Endplainlist

Φ(𝐩,sz,t)=12πℏ3∫allspacee−i𝐩⋅𝐫/ℏΨ(𝐫,sz,t)d3𝐫↿⇂Ψ(𝐫,sz,t)=12πℏ3∫allspacee+i𝐩⋅𝐫/ℏΦ(𝐩,sz,t)d3𝐩n
General probability distribution Template:Plainlist
  • Vj = volume (3d region) particle may occupy,
  • P = Probability that particle 1 has position r1 in volume V1 with spin sz1 and particle 2 has position r2 in volume V2 with spin sz2, etc.

Template:Endplainlist

P=∑szN⋯∑sz2∑sz1∫VN⋯∫V2∫V1|Ψ|2d3𝐫1d3𝐫2⋯d3𝐫N
General normalization condition P=∑szN⋯∑sz2∑sz1∫allspace⋯∫allspace∫allspace|Ψ|2d3𝐫1d3𝐫2⋯d3𝐫N=1

Equations

Wave–particle duality and time evolution

Property or effect Nomenclature Equation
Planck–Einstein equation and de Broglie wavelength relations Template:Plainlist

Template:Endplainlist

𝐏=(E/c,𝐩)=ℏ(ω/c,𝐤)=ℏ𝐊
Schrödinger equation Template:Plainlist

Template:Endplainlist

General time-dependent case:

iℏ∂∂tΨ=ĤΨ

Time-independent case: ĤΨ=EΨ

Heisenberg equation Template:Plainlist
  • Â = operator of an observable property
  • [ ] is the commutator
  • ⟨⟩ denotes the average

Template:Endplainlist

ddtÂ(t)=iℏ[Ĥ,Â(t)]+∂Â(t)∂t
Time evolution in Heisenberg picture (Ehrenfest theorem) Template:Plainlist

Template:Endplainlist of a particle.

ddt⟨Â⟩=1iℏ⟨[Â,Ĥ]⟩+⟨∂Â∂t⟩

For momentum and position;

mddt⟨𝐫⟩=⟨𝐩⟩

ddt⟨𝐩⟩=−⟨∇V⟩

Non-relativistic time-independent Schrödinger equation

Summarized below are the various forms the Hamiltonian takes, with the corresponding Schrödinger equations and forms of wavefunction solutions. Notice in the case of one spatial dimension, for one particle, the partial derivative reduces to an ordinary derivative.

One particle N particles
One dimension Ĥ=p̂22m+V(x)=−ℏ22md2dx2+V(x) Ĥ=∑n=1Np̂n22mn+V(x1,x2,⋯xN)=−ℏ22∑n=1N1mn∂2∂xn2+V(x1,x2,⋯xN)

where the position of particle n is xn.

EΨ=−ℏ22md2dx2Ψ+VΨ EΨ=−ℏ22∑n=1N1mn∂2∂xn2Ψ+VΨ.
Ψ(x,t)=ψ(x)e−iEt/ℏ.

There is a further restriction — the solution must not grow at infinity, so that it has either a finite L2-norm (if it is a bound state) or a slowly diverging norm (if it is part of a continuum):[1] ‖ψ‖2=∫|ψ(x)|2dx.

Ψ=e−iEt/ℏψ(x1,x2⋯xN)

for non-interacting particles

Ψ=e−iEt/ℏ∏n=1Nψ(xn),V(x1,x2,⋯xN)=∑n=1NV(xn).

Three dimensions Ĥ=𝐩̂⋅𝐩̂2m+V(𝐫)=−ℏ22m∇2+V(𝐫)

where the position of the particle is r = (x, y, z).

Ĥ=∑n=1N𝐩̂n⋅𝐩̂n2mn+V(𝐫1,𝐫2,⋯𝐫N)=−ℏ22∑n=1N1mn∇n2+V(𝐫1,𝐫2,⋯𝐫N)

where the position of particle n is r n = (xn, yn, zn), and the Laplacian for particle n using the corresponding position coordinates is

∇n2=∂2∂xn2+∂2∂yn2+∂2∂zn2

EΨ=−ℏ22m∇2Ψ+VΨ EΨ=−ℏ22∑n=1N1mn∇n2Ψ+VΨ
Ψ=ψ(𝐫)e−iEt/ℏ Ψ=e−iEt/ℏψ(𝐫1,𝐫2⋯𝐫N)

for non-interacting particles

Ψ=e−iEt/ℏ∏n=1Nψ(𝐫n),V(𝐫1,𝐫2,⋯𝐫N)=∑n=1NV(𝐫n)

Non-relativistic time-dependent Schrödinger equation

Again, summarized below are the various forms the Hamiltonian takes, with the corresponding Schrödinger equations and forms of solutions.

One particle N particles
One dimension Ĥ=p̂22m+V(x,t)=−ℏ22m∂2∂x2+V(x,t) Ĥ=∑n=1Np̂n22mn+V(x1,x2,⋯xN,t)=−ℏ22∑n=1N1mn∂2∂xn2+V(x1,x2,⋯xN,t)

where the position of particle n is xn.

iℏ∂∂tΨ=−ℏ22m∂2∂x2Ψ+VΨ iℏ∂∂tΨ=−ℏ22∑n=1N1mn∂2∂xn2Ψ+VΨ.
Ψ=Ψ(x,t) Ψ=Ψ(x1,x2⋯xN,t)
Three dimensions Ĥ=𝐩̂⋅𝐩̂2m+V(𝐫,t)=−ℏ22m∇2+V(𝐫,t) Ĥ=∑n=1N𝐩̂n⋅𝐩̂n2mn+V(𝐫1,𝐫2,⋯𝐫N,t)=−ℏ22∑n=1N1mn∇n2+V(𝐫1,𝐫2,⋯𝐫N,t)
iℏ∂∂tΨ=−ℏ22m∇2Ψ+VΨ iℏ∂∂tΨ=−ℏ22∑n=1N1mn∇n2Ψ+VΨ

This last equation is in a very high dimension,[2] so the solutions are not easy to visualize.

Ψ=Ψ(𝐫,t) Ψ=Ψ(𝐫1,𝐫2,⋯𝐫N,t)


Photoemission

Property/Effect Nomenclature Equation
Photoelectric equation Template:Plainlist
  • Kmax = Maximum kinetic energy of ejected electron (J)
  • h = Planck constant
  • f = frequency of incident photons (Hz = s−1)
  • φ, Φ = Work function of the material the photons are incident on (J)

Template:Endplainlist

Kmax=hf−Φ
Threshold frequency and Work function Template:Plainlist
  • φ, Φ = Work function of the material the photons are incident on (J)
  • f0, ν0 = Threshold frequency (Hz = s−1)

Template:Endplainlist

Can only be found by experiment.

The De Broglie relations give the relation between them:

ϕ=hf0

Photon momentum Template:Plainlist
  • p = momentum of photon (kg m s−1)
  • f = frequency of photon (Hz = s−1)
  • λ = wavelength of photon (m)

Template:Endplainlist

The De Broglie relations give:

p=hf/c=h/λ

Quantum uncertainty

Property or effect Nomenclature Equation
Heisenberg's uncertainty principles Template:Plainlist
  • n = number of photons
  • φ = wave phase
  • [, ] = commutator

Template:Endplainlist

Position–momentum

σ(x)σ(p)≥ℏ2

Energy-time σ(E)σ(t)≥ℏ2

Number-phase σ(n)σ(ϕ)≥ℏ2

Dispersion of observable A = observables (eigenvalues of operator)

σ(A)2=⟨(A−⟨A⟩)2⟩=⟨A2⟩−⟨A⟩2

General uncertainty relation A, B = observables (eigenvalues of operator) σ(A)σ(B)≥12⟨i[Â,B̂]⟩
Probability Distributions
Property or effect Equation
Density of states N(E)=82πm3/2E1/2/h3
Fermi–Dirac distribution (fermions) P(Ei)=g(Ei)e(E−μ)/kT+1

where Template:Plainlist

  • P(Ei) = probability of energy Ei
  • g(Ei) = degeneracy of energy Ei (no of states with same energy)
  • μ = chemical potential

Template:Endplainlist

Bose–Einstein distribution (bosons) P(Ei)=g(Ei)e(Ei−μ)/kT−1

Angular momentum

Template:Main

Property or effect Nomenclature Equation
Angular momentum quantum numbers Template:Plainlist
  • s = spin quantum number
  • ms = spin magnetic quantum number
  • ℓ = Azimuthal quantum number
  • mℓ = azimuthal magnetic quantum number
  • j = total angular momentum quantum number
  • mj = total angular momentum magnetic quantum number

Template:Endplainlist

Spin: ‖𝐬‖=s(s+1)ℏms∈{−s,−s+1⋯s−1,s}

Orbital: ℓ∈{0⋯n−1}mℓ∈{−ℓ,−ℓ+1⋯ℓ−1,ℓ}

Total: j=ℓ+smj∈{|ℓ−s|,|ℓ−s|+1⋯|ℓ+s|−1,|ℓ+s|}

Angular momentum magnitudes angular momementa:Template:Plainlist
  • S = Spin,
  • L = orbital,
  • J = total

Template:Endplainlist

Spin magnitude:

|𝐒|=ℏs(s+1)

Orbital magnitude: |𝐋|=ℏℓ(ℓ+1)

Total magnitude: 𝐉=𝐋+𝐒

|𝐉|=ℏj(j+1)

Angular momentum components Spin:

Sz=msℏ

Orbital: Lz=mℓℏ

Magnetic moments

In what follows, B is an applied external magnetic field and the quantum numbers above are used.

Property or effect Nomenclature Equation
orbital magnetic dipole moment Template:Plainlist

Template:Endplainlist

𝝁ℓ=−e𝐋/2me=gℓμBℏ𝐋

z-component: μℓ,z=−mℓμB

spin magnetic dipole moment Template:Plainlist

Template:Endplainlist

𝝁s=−e𝐒/me=gsμBℏ𝐒

z-component: μs,z=−eSz/me=gseSz/2me

dipole moment potential U = potential energy of dipole in field U=−𝝁⋅𝐁=−μzB

Hydrogen atom

Template:Main

Property or effect Nomenclature Equation
Energy level Template:Plainlist

Template:Endplainlist

En=−me4/8ε02h2n2=−13.61eV/n2
Spectrum λ = wavelength of emitted photon, during electronic transition from Ei to Ej 1λ=R(1nj2−1ni2),nj<ni

See also

Footnotes

Template:Reflist

Sources

Further reading

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