High-Resolution Fourier Transform Spectra of Atomic Sulfur: Testing of Modified Quantum Defect Theory

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F25%3A00618003" target="_blank" >RIV/61388955:_____/25:00618003 - isvavai.cz</a>

Výsledek na webu

<a href="https://hdl.handle.net/11104/0364815" target="_blank" >https://hdl.handle.net/11104/0364815</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.3390/atoms13020016" target="_blank" >10.3390/atoms13020016</a>

Jazyk výsledku

angličtina

Název v původním jazyce

High-Resolution Fourier Transform Spectra of Atomic Sulfur: Testing of Modified Quantum Defect Theory

Popis výsledku v původním jazyce

QDT (quantum defect theory) is an effective technique for calculating processes involving highly excited (Rydberg) states of atoms, ions, and molecules with one valence electron outside filled shells, whose spectrum generally resembles a hydrogen-like atom's spectrum. At the expense of some modification of QDT, in this paper, we extend its applicability to describe low- and intermediate-excited levels of atoms with more complex spectra (on the example of atomic sulfur S I). Transitions between just such states are responsible for the infrared (IR) spectra of atoms. While the quantum defects (QDs) of the highly excited Rydberg levels are determined by the energies of individual levels near the ionization threshold, the radial wave functions of low excited electronic states, in the framework of our modification of QDT, include the QD dependence on energy over a wide energy range. This dependence is determined from the whole spectral series. We show that, outside the atomic core domain, the electron radial functions calculated using modified semi-phenomenological QDT agree well with ab initio calculations. As another assessment of QDT accuracy, we show satisfactory agreement of the probabilities of dipole transitions in S I, taken from the NIST Atomic Spectra Database, with our QDT calculations. We perform an indirect experimental verification of QDT on the basis of spectra of S I in gas-discharge plasma measured by time-resolved high-resolution Fourier transfer spectroscopy (FTS). The Boltzmann plot built from our measured spectra demonstrates that QDT provides a satisfactory approximation for calculating the experimental lines' intensities.

Název v anglickém jazyce

High-Resolution Fourier Transform Spectra of Atomic Sulfur: Testing of Modified Quantum Defect Theory

Popis výsledku anglicky

QDT (quantum defect theory) is an effective technique for calculating processes involving highly excited (Rydberg) states of atoms, ions, and molecules with one valence electron outside filled shells, whose spectrum generally resembles a hydrogen-like atom's spectrum. At the expense of some modification of QDT, in this paper, we extend its applicability to describe low- and intermediate-excited levels of atoms with more complex spectra (on the example of atomic sulfur S I). Transitions between just such states are responsible for the infrared (IR) spectra of atoms. While the quantum defects (QDs) of the highly excited Rydberg levels are determined by the energies of individual levels near the ionization threshold, the radial wave functions of low excited electronic states, in the framework of our modification of QDT, include the QD dependence on energy over a wide energy range. This dependence is determined from the whole spectral series. We show that, outside the atomic core domain, the electron radial functions calculated using modified semi-phenomenological QDT agree well with ab initio calculations. As another assessment of QDT accuracy, we show satisfactory agreement of the probabilities of dipole transitions in S I, taken from the NIST Atomic Spectra Database, with our QDT calculations. We perform an indirect experimental verification of QDT on the basis of spectra of S I in gas-discharge plasma measured by time-resolved high-resolution Fourier transfer spectroscopy (FTS). The Boltzmann plot built from our measured spectra demonstrates that QDT provides a satisfactory approximation for calculating the experimental lines' intensities.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2025

Kód důvěrnosti údajů

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

Název periodika

Atoms

ISSN

2218-2004

e-ISSN

2218-2004

Svazek periodika

13

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

CH - Švýcarská konfederace

Počet stran výsledku

13

Strana od-do

16

Kód UT WoS článku

001429873800001

EID výsledku v databázi Scopus

2-s2.0-85218903705