This work addresses J.A. Wheeler's critical idea that all things physical are information-theoretic in origin. In this paper, we introduce a novel mathematical framework based on information geometry, using the Fisher information metric as a particular Riemannian metric, defined in the parameter space of a smooth statistical manifold of normal probability distributions. Following this approach, we study the stationary states with the time-independent Schrödinger's equation to discover that the information could be represented and distributed over a set of quantum harmonic oscillators, one for each independent source of data, whose coordinate for each oscillator is a parameter of the smooth statistical manifold to estimate. We observe that the estimator's variance equals the energy levels of the quantum harmonic oscillator, proving that the estimator's variance is definitively quantized, being the minimum variance at the minimum energy level of the oscillator. Interestingly, we demonstrate that quantum harmonic oscillators reach the Cramér-Rao lower bound on the estimator's variance at the lowest energy level. In parallel, we find that the global probability density function of the collective mode of a set of quantum harmonic oscillators at the lowest energy level equals the posterior probability distribution calculated using Bayes' theorem from the sources of information for all data values, taking as a prior the Riemannian volume of the informative metric. Interestingly, the opposite is also true, as the prior is constant. Altogether, these results suggest that we can break the sources of information into little elements: quantum harmonic oscillators, with the square modulus of the collective mode at the lowest energy representing the most likely reality, supporting A. Zeilinger's recent statement that the world is not broken into physical but informational parts.
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http://dx.doi.org/10.3390/e25101448 | DOI Listing |
Acc Chem Res
January 2025
Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom.
ConspectusPhotochemical reactions have always been the source of a great deal of mystery. While classified as a type of chemical reaction, no doubts are allowed that the general tenets of ground-state chemistry do not directly apply to photochemical reactions. For a typical chemical reaction, understanding the critical points of the ground-state potential (free) energy surface and embedding them in a thermodynamics framework is often enough to infer reaction yields or characteristic time scales.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Dipartimento di Fisica Ettore Pancini, Università di Napoli Federico II, Monte S. Angelo, I-80126 Napoli, Italy.
Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and powerful approaches to the study of electronic structure, but its application is often hindered by a steep learning curve; hence it is rarely addressed in undergraduate and postgraduate classes. This tutorial is a step toward filling this gap.
View Article and Find Full Text PDFJ Chem Phys
December 2024
Department of Chemical Sciences, Tata Institute of Fundamental Research, Mumbai 400005, India.
The Marcus semi-classical and quantum theories of electron transfer (ET) have been extensively used to understand and predict tunneling ET reaction rates in the condensed phase. Previously, the traditional Marcus two-state model has been extended to a three-state model, which assumes a harmonic dependence of donor (D), bridge (B), and acceptor (A) free energies on the reaction (e.g.
View Article and Find Full Text PDFSmall
January 2025
State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian, 350002, P. R. China.
Compounds having hexagonal tungsten oxides (HTO) topology are of intense research interests owing to their potential functional properties, such as nonlinear optical (NLO) performances. However, most of the reported HTO-type compounds exhibit narrow optical bandgaps because of the d-d electronic transition of compositional d transition metals and lone pair electrons effect of Se/Te, which hinder their applications in the high-energy field, such as deep-ultraviolet (deep-UV) region. In this work, a new fluorophosphate, (NH)[ScF(PO)](POF) exhibiting HTO-topological structures is reported.
View Article and Find Full Text PDFNature
January 2025
Department of Physics and Astronomy, University of California, Los Angeles, Los Angeles, CA, USA.
Microscopy and crystallography are two essential experimental methodologies for advancing modern science. They complement one another, with microscopy typically relying on lenses to image the local structures of samples, and crystallography using diffraction to determine the global atomic structure of crystals. Over the past two decades, computational microscopy, encompassing coherent diffractive imaging (CDI) and ptychography, has advanced rapidly, unifying microscopy and crystallography to overcome their limitations.
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