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feat(M11.3): add QDO-calibrated LJ and ATM interactions - #153

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feat(M11.3): add QDO-calibrated LJ and ATM interactions#153
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@jagg-ix jagg-ix commented Jul 30, 2026

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M11.3

Adds the molecular interaction layer with one microscopic QDO parameterization.

The executable campaign verifies:

  • E_LJ = ljRepulsive - ljAttractive;
  • the m=6 attractive tail is exactly -C6_LJ/r^6;
  • C6_LJ = C6_QDO = 3/4 alpha1^2 hbar omega;
  • alpha1 C6 = 4 C9, with C9 = 3/16 alpha1^3 hbar omega;
  • far-field log slope -6;
  • ATM equilateral factor 11/8, linear factor -2;
  • ATM permutation symmetry and uniform R^-9 scaling.

The reference configuration chooses n=12, re=1, epsilon=0.375, alpha1=1, hbar omega=1, so the LJ and QDO coefficients close without independent tuning.

Formal authority

Pins the latest LennardJonesAxilrodTeller.lean blob and the exact LJ split, vdW-tail, QDO-C6 and QDO-C9 theorems.

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jagg-ix marked this pull request as ready for review July 30, 2026 05:22

jagg-ix commented Jul 30, 2026

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Validation complete on 5cddf9d09300ba37a8e2233b49d6dba7c46b4212: workflow run 30516201763 passed M11 compilation, all formal-ledger validation, and the complete M11 test suite. Merge after #152 using Create a merge commit. Full order: #151 -> #152 -> #153 -> #154 -> #155.

jagg-ix commented Jul 30, 2026

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Superseded by PR #154. The M11.3 QDO/Lennard–Jones/Axilrod–Teller changes are now consolidated with the required M11.2 Liouville tensor and M11.4 optional QCD sector in one direct-to-main commit (d2eab990e82b87920faf298524b54d46a703e980). No code is being discarded.

@jagg-ix jagg-ix closed this Jul 30, 2026
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