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Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster

The assumption that nuclear motion is classical explains many phenomena. The problems of Schrödinger’s cat and the EPR paradoxon do not exist in a perfectly deterministic theory. All it needs is to describe nuclear motion classically right from the beginning. To establish this simple idea, it must b...

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Autor principal: Frank, Irmgard
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10534396/
https://www.ncbi.nlm.nih.gov/pubmed/37764233
http://dx.doi.org/10.3390/molecules28186454
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author Frank, Irmgard
author_facet Frank, Irmgard
author_sort Frank, Irmgard
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description The assumption that nuclear motion is classical explains many phenomena. The problems of Schrödinger’s cat and the EPR paradoxon do not exist in a perfectly deterministic theory. All it needs is to describe nuclear motion classically right from the beginning. To establish this simple idea, it must be tested for as many examples as possible. In the present paper, we use ab initio molecular dynamics to investigate the infrared spectrum of a ‘magic’ protonated water cluster H [Formula: see text] O [Formula: see text] (H [Formula: see text] O) [Formula: see text] which exhibits some features that were believed to afford a quantum treatment of nuclear motion. The role of the temperature in contrast to a quantum mechanical description is discussed.
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spelling pubmed-105343962023-09-29 Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster Frank, Irmgard Molecules Article The assumption that nuclear motion is classical explains many phenomena. The problems of Schrödinger’s cat and the EPR paradoxon do not exist in a perfectly deterministic theory. All it needs is to describe nuclear motion classically right from the beginning. To establish this simple idea, it must be tested for as many examples as possible. In the present paper, we use ab initio molecular dynamics to investigate the infrared spectrum of a ‘magic’ protonated water cluster H [Formula: see text] O [Formula: see text] (H [Formula: see text] O) [Formula: see text] which exhibits some features that were believed to afford a quantum treatment of nuclear motion. The role of the temperature in contrast to a quantum mechanical description is discussed. MDPI 2023-09-06 /pmc/articles/PMC10534396/ /pubmed/37764233 http://dx.doi.org/10.3390/molecules28186454 Text en © 2023 by the author. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Frank, Irmgard
Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster
title Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster
title_full Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster
title_fullStr Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster
title_full_unstemmed Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster
title_short Nuclear Motion Is Classical: Spectrum of a Magic Protonated Water Cluster
title_sort nuclear motion is classical: spectrum of a magic protonated water cluster
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10534396/
https://www.ncbi.nlm.nih.gov/pubmed/37764233
http://dx.doi.org/10.3390/molecules28186454
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