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A rational certificate for the leading coefficient 1.1005

For the fermionic Hamiltonian in PROBLEM.md, we obtain

Nc(Z)<1.1005Z+3.933Z1/3(Z≥4).N_c(Z)<1.1005Z+3.933Z^{1/3}\qquad(Z\ge4).

The finite calculation proves β3≥9087/10000\beta_3\ge9087/10000 in the notation of Hundertmark–Pattakos–Schulz, arXiv:2504.18487v1. This note supplies the passage from the matrices to that variational constant and then to the electron bound. The analytic inputs are HPS Theorem 4.2 and their Section 7 argument, together with Lieb's Nc<2Z+1N_c<2Z+1. No earlier notebook face enumeration is an input.

1. The radial quotient

HPS Theorem 4.2 permits radialization at s=3s=3. Write mm for the probability distribution of the radius. Newton's theorem gives

Q(m)=I(m)D(m),I(m)=∬g(r,u) dm(r)dm(u),D(m)=∫r2 dm(r),g(r,u)=r3+u32max⁡(r,u).Q(m)=\frac{I(m)}{D(m)},\qquad I(m)=\iint g(r,u)\,dm(r)dm(u),\qquad D(m)=\int r^2\,dm(r),\qquad g(r,u)=\frac{r^3+u^3}{2\max(r,u)}.

For positive radii, setting t=min⁡(r,u)/max⁡(r,u)t=\min(r,u)/\max(r,u) gives

g(r,u)=r2+u22f(t),f(t)=1+t31+t2,0≤t≤1.g(r,u)=\frac{r^2+u^2}{2}f(t),\qquad f(t)=\frac{1+t^3}{1+t^2},\quad 0\le t\le1.

Both verifiers establish the rational global floor f(t)≥lf(t)\ge l, where l=8941/10000l=8941/10000. Indeed, the numerator of f(t)−lf(t)-l is t3−lt2+1−lt^3-lt^2+1-l. Its minimum for t≥0t\ge0 is 1−l−4l3/27>01-l-4l^3/27>0, as checked exactly in Python and outwardly in Rust. Also f(t)≤1f(t)\le1. Its derivative has the sign of t3+3t−2t^3+3t-2 for t>0t>0. This polynomial is strictly increasing and has its sole positive root between 0.59600.5960 and 0.59610.5961; both checks certify the endpoint signs.

2. Compact support and the matrix witnesses

Scale the radii into [1,10][1,10]. certificate.json specifies 38 strictly increasing rational edges, with first edge 1 and last edge 10. They determine 37 bins. Assign shared endpoints to either neighboring bin, using half-open bins to make the assignment unique.

For bin ii with endpoints ai,bia_i,b_i, put ci=aibic_i=a_i b_i and di=(ai+bi)/2d_i=(a_i+b_i)/2. On each bin pair, the extreme values of tt are its corner ratios, with upper endpoint 1 whenever the bins overlap. The rational lower bound FijF_{ij} is obtained by evaluating ff at the appropriate endpoint if the whole ratio interval lies below 0.59600.5960 or above 0.59610.5961. Otherwise use the global floor ll. Thus l≤Fij≤f(t)≤1l\le F_{ij}\le f(t)\le1 throughout the bin pair.

The matrix to be certified is

Mij=(Fij−φ)ci+cj2didj,φ=114/125=0.912.M_{ij}=(F_{ij}-\varphi)\frac{c_i+c_j}{2d_i d_j}, \qquad \varphi=114/125=0.912.

The certificate has two separate witnesses. Python checks M=P+EM=P+E with EE entrywise positive. Exact rational elimination gives positive Schur-complement pivots for the symmetric matrix PP, proving that it is positive definite. Rust instead checks M=BBT+E′M=BB^{\mathsf T}+E' with E′E' entrywise positive. The entries of BB are explicitly stored rational numbers, so its Gram matrix is positive semidefinite by the sum-of-squares identity. Both residuals are greater than 10−510^{-5} entry by entry. The witnesses need not be equal and are verified independently.

It follows for every nonnegative vector xx that xTMx≥0x^{\mathsf T}Mx\ge0. Let mim_i be the probability in bin ii, and substitute xi=dimix_i=d_i m_i. Since the total mass is one, this proves

∑i,jFij(ci+cj)mimj/2∑icimi≥φ.\frac{\sum_{i,j}F_{ij}(c_i+c_j)m_i m_j/2} {\sum_i c_i m_i}\ge\varphi.

3. The reweighting error

Set C=∑icimiC=\sum_i c_i m_i and let DiD_i be the integral of r2r^2 over bin ii. Define probability vectors pi=cimi/Cp_i=c_i m_i/C and wi=Di/Dw_i=D_i/D. If mi>0m_i>0, the ratio Di/(cimi)D_i/(c_i m_i) lies in [ai/bi,bi/ai][a_i/b_i,b_i/a_i]. Let q=max⁡i(bi/ai)q=\max_i(b_i/a_i). Reweighting a probability by factors in [1/q,q][1/q,q] changes it in total variation by at most (q−1)/(q+1)(q-1)/(q+1).

For completeness, if a random reweighting factor XX lies in [a,b][a,b] and has mean ss, convexity of ∣X−s∣|X-s| gives

E∣X−s∣2s≤(b−s)(s−a)(b−a)s≤b−ab+a.\frac{\mathbb E|X-s|}{2s} \le\frac{(b-s)(s-a)}{(b-a)s} \le\frac{\sqrt b-\sqrt a}{\sqrt b+\sqrt a}.

The last maximum occurs at s=abs=\sqrt{ab}. Taking a=1/q,b=qa=1/q,b=q gives the stated bound. Zero-mass bins can be discarded.

By symmetry of FF, the compact matrix quotient is ∑ipi∑jFijmj\sum_i p_i\sum_jF_{ij}m_j. The true quotient is at least ∑iwi∑jFijmj\sum_i w_i\sum_jF_{ij}m_j. The inner sums lie in [l,1][l,1], so their difference is bounded by (1−l)(1-l) times total variation. Therefore every measure supported in [1,10][1,10] satisfies

Q(m)≥γ:=φ−q−1q+1(1−l)=57995759513787996382236648346000>908710000.Q(m)\ge\gamma:=\varphi-\frac{q-1}{q+1}(1-l) =\frac{5799575951378799}{6382236648346000} >\frac{9087}{10000}.

Python obtains the displayed rational exactly; Rust independently encloses the same expression and verifies the final strict inequality.

4. Removing the support restriction

For a fixed finite set of positive radii, minimize QQ over the probability simplex. The denominator is bounded away from zero, so a minimizer exists. On its used support, with V(r)=∫g(r,u) dm(u)V(r)=\int g(r,u)\,dm(u), mass stationarity yields

2V(r)=Q(r2+D).2V(r)=Q(r^2+D).

This follows by differentiating I/DI/D and then integrating the stationarity equation to determine its Lagrange multiplier. Scale the smallest used radius to 1 and denote the largest by RR. At these endpoints the identity reads

∫u−1 dm(u)=Q+(Q−1)D>0,∫u3 dm(u)=(Q−1)R3+QDR>0.\int u^{-1}\,dm(u)=Q+(Q-1)D>0,\qquad \int u^3\,dm(u)=(Q-1)R^3+QDR>0.

If Q≥1Q\ge1 the desired lower bound is immediate. Otherwise these positive moments imply

1−QQR2<D<Q1−Q,Q>RR+1.\frac{1-Q}{Q}R^2<D<\frac{Q}{1-Q}, \qquad Q>\frac{R}{R+1}.

If R≥10R\ge10, this exceeds 10/11>9087/1000010/11>9087/10000. If R<10R<10, the compact certificate applies. The original finite measure has a quotient at least as large as its mass minimizer. Hence every finite probability on positive radii satisfies the claimed lower bound.

On a compact interval bounded away from zero, finite radial measures approximate any radial probability, and both integrals defining QQ converge. For an arbitrary admissible radial measure, truncate to [ϵ,L][\epsilon,L] and renormalize. The bound 0≤g(r,u)≤(r2+u2)/20\le g(r,u)\le(r^2+u^2)/2 and the finite second moment give convergence by dominated convergence. An atom at the origin is excluded by the HPS H−1H^{-1} condition. Thus the bound extends to the entire radial variational domain, and Theorem 4.2 gives β3≥9087/10000\beta_3\ge9087/10000.

5. The HPS constants

Put b=10000/9087b=10000/9087. The constant called cc in HPS (7.34), denoted here by C0C_0, simplifies to

C0=43(2⋅1.4569)1/3.C_0=\frac4{\sqrt3}\left(\frac{2\cdot1.456}{9}\right)^{1/3}.

The powers of π\pi cancel. Python encloses its sixth root with exact rational bisection. Rust checks C0<1.5855C_0<1.5855 by a sixth-power comparison and uses that slightly larger upper bound throughout.

Under the contradiction assumption for our target inequality, N≥bZN\ge bZ, so Nβ3≥Z≥4N\beta_3\ge Z\ge4. HPS's smoothing radius has cube at most 5/48<1/85/48<1/8, as required. Equations (7.26)–(7.33) then apply. Lieb gives N/Z<9/4N/Z<9/4. For a fixed variational constant β\beta, the function to maximize is

Aβ−2/3x1/3+C0β−1x−2/3,A=3(3/10)1/3.A\beta^{-2/3}x^{1/3}+C_0\beta^{-1}x^{-2/3}, \qquad A=3(3/10)^{1/3}.

Its derivative changes sign only from negative to positive, so its maximum on [1/β,9/4][1/\beta,9/4] is at an endpoint. Both endpoint values decrease as β\beta increases. Substituting our lower bound for β\beta therefore bounds the maximum by

a1=max⁡{Ab+C0b1/3,  A(9b2/4)1/3+C0(16b3/81)1/3}.a_1=\max\left\{Ab+C_0b^{1/3},\; A(9b^2/4)^{1/3}+C_0(16b^3/81)^{1/3}\right\}.

HPS (7.29) gives the remaining upper bounds

a2=b/84,a3=(C0/5)(25b/144)1/3,a4=(C0/84)b1/3.a_2=b/84,\qquad a_3=(C_0/5)(25b/144)^{1/3}, \qquad a_4=(C_0/84)b^{1/3}.

The same contradiction argument yields the corresponding electron bound with these coefficients. After dividing the remainder by Z1/3Z^{1/3}, its maximum for Z≥4Z\ge4 is at Z=4Z=4. Both verifiers prove

b<1.1005<1.1006,a1+a2 4−1/3+a3 4−2/3+a4/4<3.933.b<1.1005<1.1006,\qquad a_1+a_2\,4^{-1/3}+a_3\,4^{-2/3}+a_4/4<3.933.

The strict slack in the final printed constants yields the strict inequality in CLAIM.md. Both verifiers also replay the published 1.1184<b(3)<1.11851.1184<b(3)<1.1185 enclosure using the increasing cubic t3+3t−2t^3+3t-2 and b(3)=2/(3t)b(3)=2/(3t). The bounded-excess conjecture remains open.