Interaction of the hydrogen molecule with the environment: stability of the system and the PT symmetry breaking

Kód výsledku v 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>

Výsledek na webu

<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>

Jazyk výsledku

angličtina

Název v původním jazyce

Interaction of the hydrogen molecule with the environment: stability of the system and the PT symmetry breaking

Popis výsledku v původním jazyce

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 -&gt; 0 we got T-D -&gt;+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&gt;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.

Název v anglickém jazyce

Interaction of the hydrogen molecule with the environment: stability of the system and the PT symmetry breaking

Popis výsledku anglicky

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 -&gt; 0 we got T-D -&gt;+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&gt;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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10306 - Optics (including laser optics and quantum optics)

Projekt

<a href="/cs/project/EF16_019%2F0000754" target="_blank" >EF16_019/0000754: Nanotechnologie pro budoucnost</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)

Rok uplatnění

2020

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Scientific Reports

ISSN

2045-2322

e-ISSN

—

Svazek periodika

10

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

16

Strana od-do

"215-1"-"215-16"

Kód UT WoS článku

000562116600001

EID výsledku v databázi Scopus

2-s2.0-85077871345