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Add custom basis functions - #59

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codex/issue-49-custom-basis
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Add custom basis functions#59
ohno wants to merge 1 commit into
mainfrom
codex/issue-49-custom-basis

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@ohno

@ohno ohno commented Aug 14, 2026

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Summary

  • add CustomBasis for user-defined radial s-wave functions
  • evaluate overlap, kinetic, rest-energy, and central-potential matrix elements by radial quadrature
  • share the quadrature helper with custom-potential matrix elements
  • add API documentation and comparisons with analytical Gaussian basis results

Impact

User-defined functions can now participate directly in Rayleigh–Ritz calculations when they satisfy the documented numerical requirements.

Validation

  • Pkg.test() — 556/556 tests passed
  • complete Documenter build passed
  • no method ambiguities detected
  • custom and analytical Gaussian calculations agree within 1.3e-12
  • git diff --check

Closes #49


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

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Add custom basis

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