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Computational Notebooks

This page is the volume-specific roadmap for reproducible computational notebooks in symmetry, spin, angular momentum, and geometric phase. It is an index and admission contract, not a substitute for the general Notebook Index or How to Use Computational Notebooks.

As of this review, no notebook family under notebooks/symmetry/ is promoted as a reproduced artifact. The entries below are planned notebook families with validation requirements. A notebook should not be cited as evidence, used to generate a figure, or treated as a reference artifact until it has a recorded reproducibility status.

Computational notebooks in this volume should make transformation laws visible:

  • spin rotations as SU(2)SU(2) matrices and Bloch-sphere motion;
  • angular-momentum addition as a unitary basis change;
  • spherical harmonics as orthonormal angular functions with phase conventions;
  • Zeeman and symmetry-breaking terms as controlled degeneracy splitting;
  • Berry phase as holonomy after dynamical phase removal;
  • Aharonov–Bohm phase as flux-dependent loop holonomy;
  • magnetic translations and Landau-level degeneracy as flux-counting structure;
  • time reversal as antiunitary action, not an ordinary matrix multiplication.

The notebook should answer one question at a time. A plot or animation is acceptable only when the calculation behind it is reproducible and validated.

Use a dedicated volume directory:

notebooks/symmetry/
spin-rotations/
angular-momentum-addition/
spherical-harmonics/
zeeman-splitting/
berry-phase/
aharonov-bohm/
magnetic-geometry/
discrete-symmetries/

Each subdirectory should include an opening README or notebook cell stating shared units, package expectations, runtime, and validation philosophy. Notebook paths should be relative to the repository root.

Every notebook promoted from planned to reproduced should state:

  • purpose and canonical pages used;
  • Hamiltonian, operator, or transformation being computed;
  • units and dimensionless conventions;
  • basis ordering and tensor-product ordering where relevant;
  • phase, gauge, and Condon–Shortley conventions where relevant;
  • numerical method or exact finite-dimensional construction;
  • parameters and tolerances;
  • validation checks with pass/fail criteria;
  • environment and package versions;
  • reproducibility status and last run date;
  • known limitations and failure modes.

If a notebook generates a figure, the notebook must also state the plotted quantity, axes, units or dimensionless variables, parameter values, and export path.

Notebook familyCanonical pagesMethodRequired validationStatus
Spin rotations and Bloch sphereSpin Rotations, Bloch Sphereexact 2×22\times2 matrices and Bloch-vector mapsnorm conservation, ∣r∣\lvert\mathbf r\rvert preservation, 2π2\pi spinor sign, composition checksplanned
Addition of angular momentumClebsch–Gordan Coefficients, Angular Momentum Problemsfinite matrices, ladder construction, optional exact symbolic checksunitary coupled-basis matrix, dimension count, M=m1+m2M=m_1+m_2, known spin-1/21/2 singlet-triplet benchmarkplanned
Spherical harmonics visualizationSpherical Harmonics, Spherical Harmonics Quick Referenceanalytic functions on angular quadrature gridsnormalization with dΩd\Omega, orthogonality, conjugation rule, parity (−1)ℓ(-1)^\ellplanned
Zeeman splitting simulationSpin in Magnetic Fields, Degeneracy Liftingfinite spin Hamiltonians and parameter sweepslinear weak-field shifts, preserved good quantum numbers, agreement with analytic spin-1/21/2 resultplanned
Berry phase for rotating spinBerry Phase for Spin-1/2, Berry Phase Problemsadiabatic time evolution and phase extractionnorm conservation, dynamical phase subtraction, convergence to −Ω/2-\Omega/2 as traversal slowsplanned
Aharonov–Bohm interference phaseAharonov–Bohm Effect, Particle on a Ringflux-threaded ring or two-path phase modelΦ0=h/∣q∣\Phi_0=h/\lvert q\rvert periodicity, winding-number phase, gauge-equivalent spectraplanned
Landau-level degeneracy visualizationMagnetic Translations, Landau Levelsfinite geometry or Landau-gauge oscillator checkslevel spacing, flux degeneracy scaling, boundary-condition caveatsplanned
Time-reversal operator for spin systemsTime Reversal for Spin-1/2 Particles, Kramers Degeneracyantiunitary action implemented as matrix plus complex conjugationT2=−IT^2=-I for spin-1/21/2, T2=+IT^2=+I for integer spin examples, Kramers-pair checkplanned

The spherical-harmonics and Landau-level rows overlap with canonical-system notebooks. When a canonical-system notebook already owns the numerical artifact, this page should link to it instead of duplicating it.

Use exact finite-dimensional checks whenever possible. For spin rotations, verify

U†U=IU^\dagger U=I

and compare the transformed Bloch vector with the corresponding SO(3)SO(3) rotation. For time evolution, verify norm conservation:

∣1−⟨ψ(t)∣ψ(t)⟩∣<ϵnorm.\left| 1-\langle\psi(t)|\psi(t)\rangle \right| < \epsilon_{\mathrm{norm}}.

For angular-momentum addition, the coupled-basis matrix CC must satisfy

C†C=I,C^\dagger C=I,

and the dimensions must match:

(2j1+1)(2j2+1)=∑J=∣j1−j2∣j1+j2(2J+1).(2j_1+1)(2j_2+1) = \sum_{J=\lvert j_1-j_2\rvert}^{j_1+j_2} (2J+1).

For spherical harmonics, numerical quadrature should check

∫Yℓm(Ω)∗Yℓ′m′(Ω)dΩ=δℓℓ′δmm′.\int Y_\ell^m(\Omega)^* Y_{\ell'}^{m'}(\Omega) d\Omega = \delta_{\ell\ell'}\delta_{mm'}.

For Berry phase, run at multiple traversal times and verify convergence of the extracted geometric phase while the dynamical phase changes. For Aharonov–Bohm calculations, verify periodicity under

ΦB↦ΦB+Φ0.\Phi_B\mapsto\Phi_B+\Phi_0.

Use the repository-wide labels from Reproducibility Status. For this page:

Local useMeaning
plannednotebook family is specified but no promoted artifact exists
draftnotebook exists but lacks complete validation or environment record
reproducednotebook reran successfully with declared checks passing
reproduced_with_warningschecks pass but warnings or limitations must be visible
brokenexpected run or validation fails
conceptual_onlyexplanatory notebook without numerical-evidence status

Do not use an exploratory notebook as support for a page claim unless the page explicitly labels it exploratory.

A notebook-generated figure can enter Visualization Gallery only after:

  • the source notebook has a validation cell;
  • the exported asset path is recorded;
  • the caption states the plotted quantity and parameters;
  • gauge-dependent quantities are labeled as such;
  • the figure is regenerated after substantial notebook changes.

For example, a Bloch-sphere trajectory should state the Hamiltonian, initial state, time interval, and whether the plotted curve is a state ray, a Bloch vector, or a spin expectation value.

  • Publishing visual output before validation cells are present.
  • Hiding a gauge or phase convention inside code.
  • Comparing Clebsch–Gordan coefficients from different conventions without a sign check.
  • Treating an antiunitary time-reversal operator as a plain unitary matrix.
  • Forgetting that a Berry phase notebook must remove the dynamical phase.
  • Using a finite-size magnetic-geometry model without stating boundary conditions.
  • Marking a notebook reproduced without recording the environment and run date.
  • Project Jupyter, Jupyter Documentation.
  • C. R. Harris et al., “Array programming with NumPy,” Nature 585, 357–362, 2020.
  • L. N. Trefethen and D. Bau III, Numerical Linear Algebra, SIAM, 1997.
  • J. M. Thijssen, Computational Physics, 2nd ed., Cambridge University Press, 2007.
  • M. V. Berry, “Quantal phase factors accompanying adiabatic changes,” Proceedings of the Royal Society A 392, 45–57, 1984.
  • J. J. Sakurai and J. Napolitano, Modern Quantum Mechanics, 3rd ed., Cambridge University Press, 2020.