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Add Gaussian expansion method - #42

Merged
ohno merged 11 commits into
mainfrom
codex/issue-6-gem
Aug 12, 2026
Merged

Add Gaussian expansion method#42
ohno merged 11 commits into
mainfrom
codex/issue-6-gem

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@ohno

@ohno ohno commented Aug 11, 2026

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Summary

  • integrate normalized real-range Gaussian primitives with the existing Rayleigh–Ritz solver
  • add complex-range cosine/sine Gaussian pairs and analytic matrix elements
  • reproduce the Hiyama–Kamimura hydrogen benchmark and the supplied original Arifi charmonium calculation
  • document the momentum-space convention in API docstrings
  • enable Documenter pull-request previews and update Antique 0.15 documentation/test calls

User impact

TwoBody.jl users can solve GEM Hamiltonians through the existing solve interface, including the 160-function complex-range hydrogen example. The new documentation includes runnable comparisons against Hiyama and Arifi.

Validation

  • 340/340 package tests pass on Julia 1.11.7
  • GEM Documenter build completes with doctests, cross-references, and HTML rendering

Close #6


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 12, 2026 07:16
@ohno
ohno merged commit c85f806 into main Aug 12, 2026
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Add GEM

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