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Interaction of the hydrogen molecule with the environment: stability of the system and the [Formula: see text] symmetry breaking

The stability of the hydrogen molecule interacting with the environment according to the balanced gain and loss energy scheme was studied. We determined the properties of the molecule taking into account all electronic interactions, the parameters of the Hamiltonian being computed by the variational...

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Autores principales: Wrona, I. A., Jarosik, M. W., Szczȩśniak, R., Szewczyk, K. A., Stala, M. K., Leoński, W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6959346/
https://www.ncbi.nlm.nih.gov/pubmed/31937804
http://dx.doi.org/10.1038/s41598-019-56849-2
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author Wrona, I. A.
Jarosik, M. W.
Szczȩśniak, R.
Szewczyk, K. A.
Stala, M. K.
Leoński, W.
author_facet Wrona, I. A.
Jarosik, M. W.
Szczȩśniak, R.
Szewczyk, K. A.
Stala, M. K.
Leoński, W.
author_sort Wrona, I. A.
collection PubMed
description The stability of the hydrogen molecule interacting with the environment according to the balanced gain and loss energy scheme was studied. We determined the properties of the molecule taking into account all electronic interactions, the parameters of the Hamiltonian being computed by the variational method. The interaction of the hydrogen molecule with the environment was modeled parametrically (γ) by means of the non-Hermitian, [Formula: see text] -symmetric Hamiltonian. We showed that the hydrogen molecule is dynamically unstable. Its dissociation time (T(D)) decreases if the γ parameter increases (for γ → 0 we got T(D) → + ∞). The dynamic instability of the hydrogen molecule is superimposed on the decrease in its static stability as γ increases. Then we can observe the decrease in the dissociation energy value and the existence of the metastable state of the molecule as γ(MS) reaches 0.659374 Ry. The hydrogen molecule is statically unstable when γ > γ(D) = 1.024638 Ry. Moreover, we can also observe the [Formula: see text] symmetry breaking effect for the electronic Hamiltonian when [Formula: see text]  = 0.520873 Ry. This effect does not affect such properties of the hydrogen molecule as: the electronic Hamiltonian parameters, the phonon and the rotational energies, and the values of the electron-phonon coupling constants neither it disturbs the dynamics of the electronic subsystem. However, the number of available quantum states goes down to four.
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spelling pubmed-69593462020-01-16 Interaction of the hydrogen molecule with the environment: stability of the system and the [Formula: see text] symmetry breaking Wrona, I. A. Jarosik, M. W. Szczȩśniak, R. Szewczyk, K. A. Stala, M. K. Leoński, W. Sci Rep Article The stability of the hydrogen molecule interacting with the environment according to the balanced gain and loss energy scheme was studied. We determined the properties of the molecule taking into account all electronic interactions, the parameters of the Hamiltonian being computed by the variational method. The interaction of the hydrogen molecule with the environment was modeled parametrically (γ) by means of the non-Hermitian, [Formula: see text] -symmetric Hamiltonian. We showed that the hydrogen molecule is dynamically unstable. Its dissociation time (T(D)) decreases if the γ parameter increases (for γ → 0 we got T(D) → + ∞). The dynamic instability of the hydrogen molecule is superimposed on the decrease in its static stability as γ increases. Then we can observe the decrease in the dissociation energy value and the existence of the metastable state of the molecule as γ(MS) reaches 0.659374 Ry. The hydrogen molecule is statically unstable when γ > γ(D) = 1.024638 Ry. Moreover, we can also observe the [Formula: see text] symmetry breaking effect for the electronic Hamiltonian when [Formula: see text]  = 0.520873 Ry. This effect does not affect such properties of the hydrogen molecule as: the electronic Hamiltonian parameters, the phonon and the rotational energies, and the values of the electron-phonon coupling constants neither it disturbs the dynamics of the electronic subsystem. However, the number of available quantum states goes down to four. Nature Publishing Group UK 2020-01-14 /pmc/articles/PMC6959346/ /pubmed/31937804 http://dx.doi.org/10.1038/s41598-019-56849-2 Text en © The Author(s) 2020 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Wrona, I. A.
Jarosik, M. W.
Szczȩśniak, R.
Szewczyk, K. A.
Stala, M. K.
Leoński, W.
Interaction of the hydrogen molecule with the environment: stability of the system and the [Formula: see text] symmetry breaking
title Interaction of the hydrogen molecule with the environment: stability of the system and the [Formula: see text] symmetry breaking
title_full Interaction of the hydrogen molecule with the environment: stability of the system and the [Formula: see text] symmetry breaking
title_fullStr Interaction of the hydrogen molecule with the environment: stability of the system and the [Formula: see text] symmetry breaking
title_full_unstemmed Interaction of the hydrogen molecule with the environment: stability of the system and the [Formula: see text] symmetry breaking
title_short Interaction of the hydrogen molecule with the environment: stability of the system and the [Formula: see text] symmetry breaking
title_sort interaction of the hydrogen molecule with the environment: stability of the system and the [formula: see text] symmetry breaking
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6959346/
https://www.ncbi.nlm.nih.gov/pubmed/31937804
http://dx.doi.org/10.1038/s41598-019-56849-2
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