Interaction of the hydrogen molecule with the environment: stability of the system and the PT symmetry breaking
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61989592%3A15310%2F20%3A73602272" target="_blank" >RIV/61989592:15310/20:73602272 - isvavai.cz</a>
Result on the web
<a href="https://www.nature.com/articles/s41598-019-56849-2.pdf" target="_blank" >https://www.nature.com/articles/s41598-019-56849-2.pdf</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1038/s41598-019-56849-2" target="_blank" >10.1038/s41598-019-56849-2</a>
Alternative languages
Result language
angličtina
Original language name
Interaction of the hydrogen molecule with the environment: stability of the system and the PT symmetry breaking
Original language 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 (gamma) by means of the non-Hermitian, PT-symmetric Hamiltonian. We showed that the hydrogen molecule is dynamically unstable. Its dissociation time (T-D) decreases if the gamma parameter increases (for gamma -> 0 we got T-D ->+infinity). The dynamic instability of the hydrogen molecule is superimposed on the decrease in its static stability as gamma increases. Then we can observe the decrease in the dissociation energy value and the existence of the metastable state of the molecule as gamma (MS) reaches 0.659374 Ry. The hydrogen molecule is statically unstable when gamma>gamma (D)=1.024638 Ry. Moreover, we can also observe the PT symmetry breaking effect for the electronic Hamiltonian when gamma PT=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.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10306 - Optics (including laser optics and quantum optics)
Result continuities
Project
<a href="/en/project/EF16_019%2F0000754" target="_blank" >EF16_019/0000754: Nanotechnologies for Future</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Scientific Reports
ISSN
2045-2322
e-ISSN
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Volume of the periodical
10
Issue of the periodical within the volume
1
Country of publishing house
GB - UNITED KINGDOM
Number of pages
16
Pages from-to
"215-1"-"215-16"
UT code for WoS article
000562116600001
EID of the result in the Scopus database
2-s2.0-85077871345