core38 min studyLesson 379 in Physics

Self-adjoint domains in one dimension

Use a half-line Hamiltonian to show how boundary conditions determine unitary evolution, reflection phases, and possible bound states.

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What you’ll understand

  • Identify the boundary form of a second-order Hamiltonian.
  • Distinguish symmetry from equality of operator and adjoint domains.
  • Compute the Robin half-line bound state and a reflection amplitude.

A differential expression is only part of a quantum observable. Its allowed wavefunctions, especially their boundary behaviour, are also part of the operator. The half-line kinetic Hamiltonian offers a simple example: several self-adjoint choices share the same free equation in the interior but predict different reflection phases and different bound spectra. The boundary condition encodes physical information about the endpoint that the interior equation does not contain.

Integration by parts exposes the missing data

Consider H=−C d2/dx2H=-C\,d^2/dx^2 on L2(0,∞)L^2(0,\infty), where C=ℏ2/(2m)>0C=\hbar^2/(2m)>0. Two integrations by parts express the difference between ⟨ϕ,Hψ⟩\langle\phi,H\psi\rangle and ⟨Hϕ,ψ⟩\langle H\phi,\psi\rangle as endpoint terms. To obtain a symmetric operator, these terms must vanish for every pair of functions in its domain, not merely for one selected eigenfunction. At infinity the usual square-integrable regular domain supplies the required vanishing behaviour; the endpoint at zero still needs a condition.

A real Robin condition ψ′(0)=γψ(0)\psi'(0)=\gamma\psi(0) makes the zero-endpoint form vanish for every pair obeying the same condition. With the usual Sobolev domain of square-integrable functions having square-integrable weak derivatives through order two, this gives a self-adjoint half-line realization. The real parameter γ has inverse-length units. Dirichlet condition ψ(0)=0\psi(0)=0 is another realization, treated separately rather than obtained by inserting an infinite number into an ordinary calculation.

⟨ϕ,Hψ⟩−⟨Hϕ,ψ⟩=C[ϕ′∗ψ−ϕ∗ψ′]0∞,D(Hγ)={ψ∈H2(0,∞):ψ′(0)=γψ(0)},γ∈R\langle\phi,H\psi\rangle-\langle H\phi,\psi\rangle=C\left[\phi'^*\psi-\phi^*\psi'\right]_0^\infty,\qquad D(H_\gamma)=\{\psi\in H^2(0,\infty):\psi'(0)=\gamma\psi(0)\},\quad\gamma\in\mathbb R
H² is the Sobolev space with square-integrable weak derivatives through second order. C has units energy·length² and γ inverse length. The inner product is ∫φ*ψ dx. The specified domain, not just the vanishing expression for one pair, is part of the self-adjoint operator.↔ Scroll wide equations horizontally.

Symmetric is weaker than self-adjoint

Self-adjointness requires the operator and its adjoint to have equal domains as well as matching actions. Imposing both value and derivative zero at the regular endpoint makes the boundary form vanish, but restricts the domain too far: the adjoint allows more functions. This produces a symmetric minimal operator rather than a self-adjoint Hamiltonian. Extra boundary constraints are therefore not automatically a safer or more precise choice; they can remove the structure needed for a unique unitary evolution.

For the half-line Laplacian the deficiency indices are (1,1)(1,1), which underlies the one-parameter family of endpoint choices. Different choices need a physical endpoint model or experimental input. The Dirichlet condition of an ordinary impenetrable wall is a particular choice, not a theorem that every boundary interaction must use it. A Robin endpoint can represent an effective short-distance interaction while maintaining zero probability flux into the excluded half-line. Mathematical freedom does not mean the choices describe the same experiment.

A boundary can bind without an interior potential

Seek a negative-energy normalizable solution ψ=Ae−κx\psi=Ae^{-\kappa x} with κ>0\kappa>0. Its endpoint derivative imposes −κ=γ-\kappa=\gamma. Consequently a negative Robin parameter supports one bound state, while nonnegative γ supports none. For γ = 0, a constant zero-energy solution is not square-integrable on the half-line. The bound energy is supplied by the endpoint model; calling the differential expression free does not make every self-adjoint realization nonnegative.

At positive energy an incoming wave and reflected wave must satisfy the same endpoint relation. For real γ their reflection amplitude has unit magnitude, but its phase depends on γ. Thus absence of probability leakage does not imply identical scattering. The endpoint current j(0)=(ℏ/m)Im⁡[ψ∗(0)ψ′(0)]j(0)=(\hbar/m)\operatorname{Im}[\psi^*(0)\psi'(0)] vanishes because γ is real. Reflection states use continuum normalization, whereas the boundary-bound exponential has an ordinary finite norm; the two should not be conflated.

γ<0:ψb(x)=−2γ eγx,Eb=−Cγ2;ψk=e−ikx+r(k)eikx,r(k)=ik+γik−γ,∣r(k)∣=1\gamma<0:\quad \psi_b(x)=\sqrt{-2\gamma}\,e^{\gamma x},\qquad E_b=-C\gamma^2;\qquad \psi_k=e^{-ikx}+r(k)e^{ikx},\quad r(k)=\frac{ik+\gamma}{ik-\gamma},\quad |r(k)|=1
The bound formula requires γ < 0 and has wavefunction units length⁻¹ᐟ². The scattering convention uses k > 0 with E = Ck², incoming motion toward the endpoint, and unit incoming amplitude. Its reflection phase is convention dependent, while unit reflected probability follows for real γ.↔ Scroll wide equations horizontally.

A normalizable endpoint state

Take C=1.0 eV nm2C=1.0\,\mathrm{eV\,nm^2} and Robin parameter γ=−0.50 nm−1\gamma=-0.50\,\mathrm{nm^{-1}}. Find the decay constant, bound energy, normalized exponential, and mean distance from the endpoint. Check its endpoint probability current.

  1. A decaying solution has derivative-to-value ratio −κ-\kappa at zero, so the boundary condition gives κ=−γ=0.50 nm−1\kappa=-\gamma=0.50\,\mathrm{nm^{-1}}. The energy is Eb=−Cκ2=−0.25 eVE_b=-C\kappa^2=-0.25\,\mathrm{eV}. This is below the continuum threshold at zero.

  2. The half-line norm is ∣A∣2∫0∞e−2κxdx=∣A∣2/(2κ)|A|^2\int_0^\infty e^{-2\kappa x}dx=|A|^2/(2\kappa). Thus A=2κ=1.0 nm−1/2A=\sqrt{2\kappa}=1.0\,\mathrm{nm^{-1/2}}. There is only one exterior half-line here, unlike the full-line attractive-delta example.

  3. The probability distribution is exponential with rate 2κ2\kappa, giving ⟨x⟩=1/(2κ)=1.0 nm\langle x\rangle=1/(2\kappa)=1.0\,\mathrm{nm}. At zero, ψ∗ψ′=γ∣ψ(0)∣2\psi^*\psi'=\gamma|\psi(0)|^2 is real, so its imaginary part and the endpoint current are zero.

The result

The endpoint supports one state at −0.25 eV with normalized wavefunction (1 nm⁻¹ᐟ²) exp[−x/(2 nm)]. Its mean distance is 1 nm and no probability crosses the endpoint.

Explore the model

Interactive lab

Interactive lab · waves

Relative phase matters even at fixed amplitudes

Reset and set both controls to phase 0° and amplitude ratio 1; predict constructive addition. Reset and set both controls to phase 180° and ratio 1; predict cancellation, then Step. The two lab waves both have fixed form sin(2x − t) plus a phase shift, so they are not incoming and reflected counterpropagating waves and do not impose a Robin boundary. They illustrate phase sensitivity only.

Relative phase matters even at fixed amplitudesTwo waves share the same frequency and wave number. Playback advances t in sin(2x − t) + a sin(2x − t + phase). Current readings: Sum at x = 0: 0.866; Resultant amplitude: 1.732; Phase difference: 60°. All parameters are adjustable with the labeled controls below.−3.14−1.5701.573.14−3.4−1.701.73.4x · radiansAmplitude
SumFirst componentSecond component
Sum at x = 0
0.866
Resultant amplitude
1.732
Phase difference
60°
t = 0 s

Two waves share the same frequency and wave number. Playback advances t in sin(2x − t) + a sin(2x − t + phase). Parameter changes pause playback and recompute the model at the current elapsed time. Reset restores both parameters and returns time to zero. Playback starts paused. Adjust either parameter, then choose Play or Step.

Look forEqual component magnitudes need not give the same interference; the actual reflection phase follows from the endpoint condition, outside this lab.

Check your understanding

Why is requiring both ψ(0) = 0 and ψ′(0) = 0 insufficient to define the standard self-adjoint half-line kinetic Hamiltonian?

Try it yourself

Keep C=1 eV nm2C=1\,\mathrm{eV\,nm^2} but choose γ=+0.50 nm−1\gamma=+0.50\,\mathrm{nm^{-1}}. For a scattering wave of k=0.50 nm−1k=0.50\,\mathrm{nm^{-1}}, compute energy and reflection amplitude in the convention above. Decide whether this endpoint also has a negative-energy bound state.

Take a moment to make a prediction or work it out on paper. Open a hint when you need one.

Give me a hint

Divide numerator and denominator of r by 0.50 nm⁻¹; test a decaying exponential separately rather than inferring a bound state from perfect reflection.

Compare with the solution

The scattering energy is E=Ck2=0.25 eVE=Ck^2=0.25\,\mathrm{eV}. The amplitude is r=(i+1)/(i−1)=−ir=(i+1)/(i-1)=-i, so reflected probability is one with a phase shift of −π/2-\pi/2 in the stated convention. A negative-energy decaying exponential would require κ=−γ=−0.50 nm−1\kappa=-\gamma=-0.50\,\mathrm{nm^{-1}}, which is impossible for normalizable decay. Thus this endpoint has no negative-energy bound state even though its reflection is complete. Reflection probability alone cannot distinguish the positive-γ endpoint from other real Robin choices.

Take it with you

  • A Hamiltonian includes its domain, not merely its interior differential expression.
  • Vanishing boundary form establishes symmetry; self-adjointness additionally needs equal adjoint domain.
  • Real Robin endpoints can change bound spectra and reflection phases while preserving probability.

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