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July 3, 2026Journal of Chemical Theory and Computation0 citationsOpen Access

After 100 Years of Quantum Mechanics: Toward a Constructive Observation-Centered Perspective

TSTimothy StroscheinMRMarkus Reiher

Key Points

  • This perspective aims to address the misalignment between quantum mechanics' formalism and practical computation limitations.
  • Introduced a signal-based spectral equation for frequency analysis as an operator problem.
  • Connected findings to prolate Fourier theory and spectral analysis with finite observation time.
  • Highlighted the relationship between observation time and effective spectral density for accurate resolution.
  • Proposed a new framework integrating approximation into quantum mechanics foundations.
  • Demonstrated a necessary accuracy transition linked to observation time and signal density.
  • Outlined implications for complex quantum systems in molecular sciences.

Abstract

Quantum mechanics owes much of its extraordinary success to a Hilbertian program of mathematical formalization. Yet, the formalism remains poorly aligned with the practical limitations of computations in finite dimensions and under finite accuracy. In this perspective, we argue that this mismatch points to the need for a new mathematical program: a rigorous constructive theory for effective descriptions to identify essential degrees of freedom. We propose an observation-centered point of view in which signals are treated as the primary objects of analysis, while wave functions and Hamiltonians are reconstructed as auxiliary structures to rationalize the observed data. Our starting point is a signal-based spectral equation that reformulates frequency analysis as an operator problem. We connect this point of view to results on prolate Fourier theory, spectral analysis with finite observation time, and short-time quantum simulation. We highlight a sharp accuracy transition relating necessary observation time to the effective spectral density of a signal for achieving accurate resolution. The resulting framework integrates approximation as a fundamental necessity more directly into the foundations of quantum mechanics and points toward a broader program for the effective description of complex quantum systems, such as those found in the molecular sciences.

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Cite This Study

Stroschein et al. (2026) studied this question.

synapsesocial.com/papers/6a4750b55c29257aa25784fehttps://doi.org/10.1021/acs.jctc.6c00709
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