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

Authors :
Irmgard Frank
Source :
Molecules, Vol 28, Iss 18, p 6454 (2023)
Publication Year :
2023
Publisher :
MDPI AG, 2023.

Abstract

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 H3O+(H2O)20 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.

Details

Language :
English
ISSN :
14203049
Volume :
28
Issue :
18
Database :
Directory of Open Access Journals
Journal :
Molecules
Publication Type :
Academic Journal
Accession number :
edsdoj.220078c1bbb54c31936533cc3cad6c84
Document Type :
article
Full Text :
https://doi.org/10.3390/molecules28186454