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Document Rayleigh-Ritz theory - #44

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ohno merged 1 commit into
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codex/rayleigh-ritz-theory
Aug 11, 2026
Merged

Document Rayleigh-Ritz theory#44
ohno merged 1 commit into
mainfrom
codex/rayleigh-ritz-theory

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@ohno ohno commented Aug 11, 2026

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Summary

  • add a step-by-step Theory section for the Rayleigh-Ritz method
  • derive the generalized eigenvalue problem from the variational energy with a normalization constraint
  • define the Hamiltonian and overlap matrices and explain the real-valued assumption and complex-conjugate extension
  • document Julia's LinearAlgebra.eigen(H, S) interface and add supporting references

Why

The existing page stated the generalized eigenvalue problem but did not show how it follows from the trial-wave-function expansion and constrained energy minimization. This gives readers the mathematical context needed to understand the solver before using it.

Impact

Users get a self-contained derivation directly before the usage examples. This is a documentation-only change and does not modify the package API or numerical behavior.

Validation

  • git diff --check passed
  • julia --startup-file=no --project=docs docs/make.jl completed on Julia 1.10.10 with doctests, executable examples, cross-references, and HTML rendering
  • confirmed the generated docs/build/Rayleigh-Ritz.html contains the Theory section and generalized eigenvalue derivation

This pull request was developed with assistance from Codex using GPT-5.6 Sol with High reasoning effort.

@ohno
ohno marked this pull request as ready for review August 11, 2026 15:15
@ohno
ohno merged commit 8a72ed9 into main Aug 11, 2026
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