Notebook Index

The notebook index is an inventory of computational artifacts that support teaching pages, formula cards, benchmarks, and figures. It is not a dumping ground for exploratory code. A notebook should make one calculation reproducible and should say what would falsify or limit the result.

Current Committed Notebook Family

The current committed family is:

notebooks/wave-mechanics-canonical-systems/

It supports the Wave Mechanics and Model Systems volume. The volume-specific index is Numerical Notebooks Index, and the validation suite is Benchmark Problems.

Current subfamilies include:

• one-dimensional bound systems,
• free wave-packet motion,
• scattering and tunneling,
• harmonic oscillator eigenstates,
• two-level dynamics,
• hydrogenic radial functions,
• spherical harmonics,
• Landau levels.

The committed AMO family is:

notebooks/amo/

Its retained artifacts include:

• the Variational Helium Notebook, with a standard-library effective-charge optimizer;
• the Hartree–Fock Notebook, with a NumPy-only analytic-integral SCF program;
• the Molecular Orbital Computation, with a NumPy-only nonorthogonal H₂⁺ LCAO solver; and
• Vibrational Spectra Computation, with a NumPy-only mass-weighted CO₂ Hessian and H³⁵Cl sinc-DVR solver; and
• machine-readable convergence histories, matrices, potential curves, density samples, transition moments, validation ledgers, and environment metadata for these calculations.

These notebooks are validation-first. Optional plotting can be added only after numerical checks remain visible.

Notebook Metadata Contract

Every indexed notebook should state:

• purpose,
• canonical page and formula pages used,
• mathematical model and Hamiltonian,
• assumptions and approximations,
• input parameters and unit convention,
• numerical method,
• environment and package versions,
• expected outputs,
• validation checks and tolerances,
• reproducibility status,
• last run date and, when available, commit identifier.

If a notebook has no validation cell, it may still be useful as an exploratory draft, but it should not be promoted to the reference index.

Planned Notebook Families

Future notebook families should use semantic directories:

notebooks/
  wave-mechanics-canonical-systems/
  symmetry/
  approximation/
  density-open-systems/
  quantum-information/
  many-body/
  amo/
  quantum-matter/
  mathematical-qm/

Each family should have a short README or opening notebook cell explaining shared units, dependencies, expected runtime, and validation philosophy.

Notebook Entry Template

Use this structure for future per-notebook entries:

Purpose
Canonical pages
Formula pages used
Inputs and parameters
Numerical method
Outputs
Benchmark target
Environment
Reproducibility status
Last run
Known limitations

The entry should be short enough to scan but specific enough for a reviewer to reproduce the calculation.

Promotion Path

A computational exercise becomes a notebook only after it has:

1. a canonical page or formula target,
2. a benchmark target,
3. an environment recipe,
4. a validation cell,
5. a status label,
6. a review note if the result is used by a figure or table.

This path prevents a notebook from becoming an unreviewed source of truth.

Cross-Links

• Approximation and Scattering Reproducibility Checklist applies this metadata contract as an end-to-end release audit.
• Reproducibility Status
• Environments
• Benchmark Problems
• Package Index
• Canonical Systems Numerical Notebooks
• Time-Dependent Two-Level Systems Notebook – reproducible detuned Rabi, laboratory-frame, pulse-area, and finite-pulse Ramsey benchmarks.
• Optical Bloch Equation Notebook – reproducible dissipative transients, saturation, fluorescence, power-broadened linewidths, and physicality checks.
• Cavity QED Simulation Notebook – reproducible dressed doublets, vacuum Rabi exchange, coherent-state cutoff convergence, collapse and revival, and unconditional cavity loss.
• Laser Cooling Simulation Notebook – reproducible counterpropagating force, friction, diffusion, Doppler-temperature, intensity, relaxation, and rubidium-scale benchmarks.
• Reproducibility Benchmarks – cross-notebook analytic anchors, artifact validations, hashes, runtimes, and versioned acceptance evidence.
• Many-Body Reproducible Notebooks – planned artifacts, canonical filenames, benchmark gates, and current availability.
• Quantum Information Reproducible Notebooks – planned circuit, algorithm, code, benchmark, communication, and metrology artifacts with quantum-specific admission gates.
• Symmetry, Angular Momentum, and Spin Computational Notebooks

References

• Project Jupyter, Jupyter Documentation.
• Jupyter Notebook Documentation, The Jupyter Notebook.
• The Turing Way Community, The Turing Way.
• C. R. Harris et al., “Array programming with NumPy,” Nature 585, 357-362 (2020), DOI: 10.1038/s41586-020-2649-2.