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

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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Publication Details

Journal
Journal of Chemical Theory and Computation
Published
2026-06-30
DOI
https://doi.org/10.1021/acs.jctc.6c00709
Primary Topic
Quantum Mechanics and Applications
Type
article
Field-Weighted Citation Impact
0.00

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article

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

Markus Reiher, Timothy Stroschein
Journal of Chemical Theory and Computation
Quantum Mechanics and Applications
article

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

Markus Reiher, Timothy Stroschein
article en

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.

Journal of Chemical Theory and Computation
ETH Zurich (CH)
Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung, Novo Nordisk Fonden
Openalex Percentile: Top 9%
Quantum Mechanics and Applications
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