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    Metric for relativistic quantum mechanics applied to the copper Kα transition

    S. M. Krstevski, T. V. B. Nguyen, P. H. Dong, and C. T. Chantler*

    • *Contact author: chantler@unimelb.edu.au

    Phys. Rev. A 113, 053108 – Published 11 May, 2026

    DOI: https://doi.org/10.1103/zjyd-yrky

    Abstract

    X-ray characteristic spectra constitute one of the most sensitive probes for testing relativistic quantum mechanics and quantum electrodynamics, playing a key role in both atomic physics research and industrial applications. Advanced relativistic theory has, however, been unable to predict such spectra, calling several foundational ideas into question. A core problem lies in the process to convergence and the lack of sensitive metrics for convergence of many-body systems. We present a convergence metric for many-body systems: the radiative-lifetime-invariance metric (Σ metric) which can be used to identify cases of false convergence that go undetected using previous criteria. This new metric suggests that the radiative lifetime of all upper states of the Kα transition are the same to within 0.347% under appropriate circumstances. We develop a suite of convergence criteria innovating best practice in many-body theory. We apply the suite to develop a theoretical model for the copper Kα satellite spectrum which, despite being the best-tested system experimentally and theoretically in x-ray physics, is yet to be adequately explained theoretically. We predict the dominant [1s]→[2p] transition spectrum, and all major satellite transition spectra. The resulting wave functions are highly convergent, according to the range of convergence metrics developed herein. The theoretical Cu Kα spectrum is in strong agreement with the world-leading experiments. We confirm the necessity and accuracy of the diagram spectrum and the [4s] satellite spectrum; define and demonstrate the necessity of a convergent [3d] satellite spectrum; and calculate and highlight the importance of the [3p], [3s], [3d4s], and [3d2] shakeoff satellite processes. All are real and observed in the experimental spectra.

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