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April 27, 20260 citationsOpen Access

Phase-3 Local Term Closure and the Copper Bridge: Supplementary Numerical Certificates

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LGLuka Gluvić

Key Points

  • The aim is to present supplementary numerical certificates verifying closure in atomic configurations for chromium and copper.
  • Supplementary notebook presents numerical closure data and verification for chromium and copper.
  • Includes records of strict local phase-3 closure and copper bridge conditions.
  • Archive showcases CSV files summarizing closure certificates and computational methodologies.
  • Pi_Cr_strict recorded at -4.012884 eV and Pi_Cu_1c at +0.198205 eV, confirming strict closure properties.
  • Copper bridge condition established: Omega_nl_Cu > 0.198205 eV.
  • Archive serves as a reproducibility supplement for computational findings.

Abstract

This archive contains the supplementary numerical certificate files for the manuscript “Phase-3 Local Term Closure and the Copper Bridge: From Atomic Shell Geometry to Nonlocal Response. ” The supplementary notebook collects and verifies the numerical closure chain used in the paper. It records the strict local Phase-3 closure of chromium, the best strict one-center copper residual, and the resulting Phase-4 copper bridge threshold. The certificate verifies: PiCrₛtrict = -4. 012884 eV, PiCu₁c = +0. 198205 eV, and the copper bridge condition OmegaₙlCu > 0. 198205 eV. The included CSV files summarize the main closure certificate, guardrail logic, phase status, bridge thresholds, and reader checklist. The notebook does not fit closure energies to external spectroscopic data. External atomic data are used only for standard configurations, term labels, and unit conversion in the accompanying manuscript. This archive is intended as a compact reproducibility supplement. The larger computational notebooks used to generate the intermediate radial, selected-CI, screening, and guardrail calculations are treated as the computational archive.

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Cite This Study

Luka Gluvić (2026) studied this question.

synapsesocial.com/papers/69eefd82fede9185760d43cfhttps://doi.org/10.5281/zenodo.19763844
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