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Molecular Interactions Induced by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics
[Image: see text] By means of quantum mechanics and quantum electrodynamics applied to coupled harmonic Drude oscillators, we study the interaction between two neutral atoms or molecules subject to a uniform static electric field. Our focus is to understand the interplay between leading contribution...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
American Chemical Society
2022
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8919329/ https://www.ncbi.nlm.nih.gov/pubmed/35231170 http://dx.doi.org/10.1021/acs.jpclett.1c04222 |
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author | Karimpour, Mohammad Reza Fedorov, Dmitry V. Tkatchenko, Alexandre |
author_facet | Karimpour, Mohammad Reza Fedorov, Dmitry V. Tkatchenko, Alexandre |
author_sort | Karimpour, Mohammad Reza |
collection | PubMed |
description | [Image: see text] By means of quantum mechanics and quantum electrodynamics applied to coupled harmonic Drude oscillators, we study the interaction between two neutral atoms or molecules subject to a uniform static electric field. Our focus is to understand the interplay between leading contributions to field-induced electrostatics/polarization and dispersion interactions, as considered within the employed Drude model for both non-retarded and retarded regimes. For the first case, we present an exact solution for two coupled oscillators obtained by diagonalizing the corresponding quantum-mechanical Hamiltonian and demonstrate that the external field can control the strength of different intermolecular interactions and relative orientations of the molecules. In the retarded regime described by quantum electrodynamics, our analysis shows that field-induced electrostatic and polarization energies remain unchanged (in isotropic and homogeneous vacuum) compared to the non-retarded case. For interacting species modeled by quantum Drude oscillators, the developed framework based on quantum mechanics and quantum electrodynamics yields the leading contributions to molecular interactions under the combined action of external and vacuum fields. |
format | Online Article Text |
id | pubmed-8919329 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | American Chemical Society |
record_format | MEDLINE/PubMed |
spelling | pubmed-89193292022-03-15 Molecular Interactions Induced by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics Karimpour, Mohammad Reza Fedorov, Dmitry V. Tkatchenko, Alexandre J Phys Chem Lett [Image: see text] By means of quantum mechanics and quantum electrodynamics applied to coupled harmonic Drude oscillators, we study the interaction between two neutral atoms or molecules subject to a uniform static electric field. Our focus is to understand the interplay between leading contributions to field-induced electrostatics/polarization and dispersion interactions, as considered within the employed Drude model for both non-retarded and retarded regimes. For the first case, we present an exact solution for two coupled oscillators obtained by diagonalizing the corresponding quantum-mechanical Hamiltonian and demonstrate that the external field can control the strength of different intermolecular interactions and relative orientations of the molecules. In the retarded regime described by quantum electrodynamics, our analysis shows that field-induced electrostatic and polarization energies remain unchanged (in isotropic and homogeneous vacuum) compared to the non-retarded case. For interacting species modeled by quantum Drude oscillators, the developed framework based on quantum mechanics and quantum electrodynamics yields the leading contributions to molecular interactions under the combined action of external and vacuum fields. American Chemical Society 2022-03-01 2022-03-10 /pmc/articles/PMC8919329/ /pubmed/35231170 http://dx.doi.org/10.1021/acs.jpclett.1c04222 Text en © 2022 The Authors. Published by American Chemical Society https://creativecommons.org/licenses/by/4.0/Permits the broadest form of re-use including for commercial purposes, provided that author attribution and integrity are maintained (https://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Karimpour, Mohammad Reza Fedorov, Dmitry V. Tkatchenko, Alexandre Molecular Interactions Induced by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics |
title | Molecular Interactions Induced
by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics |
title_full | Molecular Interactions Induced
by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics |
title_fullStr | Molecular Interactions Induced
by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics |
title_full_unstemmed | Molecular Interactions Induced
by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics |
title_short | Molecular Interactions Induced
by a Static Electric Field in Quantum Mechanics and Quantum Electrodynamics |
title_sort | molecular interactions induced
by a static electric field in quantum mechanics and quantum electrodynamics |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8919329/ https://www.ncbi.nlm.nih.gov/pubmed/35231170 http://dx.doi.org/10.1021/acs.jpclett.1c04222 |
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