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A Noble-Gas-Centered Coordinate for Within-Period Atomic Property Trends

Chemical Physics 2026-05-04 v1

Abstract

We introduce a single dimensionless landscape function Jchem(ρ)=cosh(ρlnφ)1J_{\rm chem}(\rho) = \cosh(\rho \ln \varphi) - 1, φ=(1+5)/2\varphi = (1+\sqrt{5})/2, on the noble-gas-centred coordinate ρ=d/Lp[0,1)\rho = d/L_p \in [0,1), and show that it organizes four central atomic observables: first ionization energy \IE1_1, electron affinity EA, Mulliken electronegativity χM\chi_M, and Pearson chemical hardness η\eta, on one periodic-table axis. The outward step ΔJchem+\Delta J_{\rm chem}^{+} delivers IE1_1; the inward gap ΔJchem=Jchem(1)Jchem(ρ)\Delta J_{\rm chem}^{-} = J_{\rm chem}(1) - J_{\rm chem}(\rho) delivers EA and η\eta; χM\chi_M follows by Mulliken's identity. Three results establish the empirical content. (i) The within-period IE1_1 envelope reproduces the full noble-gas-to-alkali ordering across periods 2--6: of 34 atoms compiled across periods 2-4, 26 lie on the predicted monotone descent and the 8 upward deviations occur exactly at the textbook anomaly sites {p3,d5,f7,s2,d10}\{p^3, d^5, f^7, s^2, d^{10}\}. (ii) Two golden-ratio identities, IE1(Gp)/IE1(Gp+1)φ1/4{\rm IE}_1(G_p)/{\rm IE}_1(G_{p+1}) \approx \varphi^{1/4} on three heavy noble-gas pairs and IE1(halogen)/IE1(alkali)φ2{\rm IE}_1(\text{halogen})/{\rm IE}_1(\text{alkali}) \approx \varphi^2 on four within-period pairs, agree with NIST data to MAD 1%\approx 1\% and 5%\approx 5\%, respectively. (iii) The shared kernel ΔJchem\Delta J_{\rm chem}^{-} provides single-parameter analytical fits to EA across periods 4--6 (MAE 0.30.3--0.40.4~eV), to Pearson hardness η\eta across periods 2--4 (MAE 1\sim 1~eV on noble-gas maxima up to 10.810.8~eV), and to Mulliken χM\chi_M across a 15-atom four-class benchmark (R2=0.73R^2 = 0.73). \edit{At the period-averaged scale level, the shared-kernel relation EA/ηCEA(p)/Cη(p){\rm EA}/\eta \approx C^{(p)}_{\mathrm{EA}}/C^{(p)}_{\eta} is supported on period-4 NIST data: the empirical nine-atom mean EA/η=0.180\overline{{\rm EA}/\eta} = 0.180 agrees with the predicted constant 0.1820.182 to better than 1%1\%, although individual-atom scatter (σ0.13\sigma \approx 0.13) is much larger.

Keywords

Cite

@article{arxiv.2605.00028,
  title  = {A Noble-Gas-Centered Coordinate for Within-Period Atomic Property Trends},
  author = {Jonathan Washburn and Megan Simons and Elshad Allahyarov},
  journal= {arXiv preprint arXiv:2605.00028},
  year   = {2026}
}

Comments

32 pages, 8 figures