Periodic table complete through argon + a repaired basis-set foundation - #36

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feat/periodic-table-expansion

Commits on Aug 10, 2026

test: per-element PySCF agreement harness — exposes wrong Li/Be/aug basis tables

Ahmet Gunaydin
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claude
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cd3aa79
docs: move the anthracene wrong-basin result into LIMITATIONS.md

Ahmet Gunaydin
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77e0597
fix: repair 20 wrong basis-set constants across 7 elements

Ahmet Gunaydin
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2f35960
feat: add Boron and Neon — row 2 complete (10 elements)

Ahmet Gunaydin
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1bd245f
fix: correct BECKE_XI against PySCF BRAGG_RADII (measured impact: 0.6 uHa)

Ahmet Gunaydin
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26f6c5a
feat: add the third row (Na-Ar) — periodic table complete through Z=18

Ahmet Gunaydin
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9e7e3ca
docs: run report + correct LIMITATIONS coverage; test the curriculum unlock

Ahmet Gunaydin
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14d0cee
feat: labs.html — three comp-chem teaching labs, computed live in the tab

Ahmet Gunaydin
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7de9b74
feat: link labs.html from the site navigation

Ahmet Gunaydin
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2e05ff8
test: stop e2e specs certifying known-wrong energies; wire basis check into CI

Ahmet Gunaydin
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080bfcf
test: verify analytic HF gradients for the 10 new elements

Ahmet Gunaydin
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acf7b05
test: tighten chemistry assertions against full-precision references

Ahmet Gunaydin
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ed8660a
feat: Lab 4 — an SN2 reaction barrier, the calculation period 3 was for

Ahmet Gunaydin
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4b3d8a2