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shellRadiusProxy
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IndisputableMonolith.Chemistry.AtomicRadii on GitHub at line 37.
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34
35/-- Raw shell radius proxy: φ^(shell_number).
36 Higher shell = larger base radius. -/
37def shellRadiusProxy (Z : ℕ) : ℝ :=
38 Constants.phi ^ (shellNumber Z : ℝ)
39
40/-- Screening factor: valence electrons penetrate less as they increase.
41 radius ~ shellRadius * (1 - valence/periodLength) -/
42def screeningFactor (Z : ℕ) : ℝ :=
43 if periodLength Z = 0 then 1
44 else 1 - (valenceElectrons Z : ℝ) / (2 * periodLength Z : ℝ)
45
46/-- Atomic radius proxy: combines shell and screening effects.
47 radius = shellRadius * screeningFactor -/
48def radiusProxy (Z : ℕ) : ℝ :=
49 shellRadiusProxy Z * screeningFactor Z
50
51/-- Normalized atomic radius (0 to 1 within period).
52 0 = smallest in period, 1 = largest. -/
53def normalizedRadius (Z : ℕ) : ℝ :=
54 let prev := prevClosure Z
55 let next := nextClosure Z
56 if next = prev then 1
57 else 1 - (Z - prev : ℝ) / (next - prev : ℝ)
58
59/-! ## Period Trends -/
60
61/-- Within a period, lower Z has more "remaining capacity" to next closure.
62 This is the basic principle of across-period radius contraction. -/
63theorem lower_z_more_remaining (Z1 Z2 : ℕ) (hLt : Z1 < Z2)
64 (hZ1_le : Z1 ≤ nextClosure Z1)
65 (hZ2_le : Z2 ≤ nextClosure Z2)
66 (hSameNext : nextClosure Z1 = nextClosure Z2) :
67 distToNextClosure Z1 > distToNextClosure Z2 := by