Shape resonances of Be- and Mg- investigated with the method of analytic continuation

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F18%3A10385982" target="_blank" >RIV/00216208:11320/18:10385982 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/61388955:_____/18:00498446

Výsledek na webu

<a href="https://doi.org/10.1103/PhysRevA.97.052704" target="_blank" >https://doi.org/10.1103/PhysRevA.97.052704</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1103/PhysRevA.97.052704" target="_blank" >10.1103/PhysRevA.97.052704</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Shape resonances of Be- and Mg- investigated with the method of analytic continuation

Popis výsledku v původním jazyce

The regularized method of analytic continuation is used to study the low-energy negative-ion states of beryllium (configuration 2s(2)epsilon p P-2) and magnesium (configuration 3s(2)epsilon p P-2) atoms. The method applies an additional perturbation potential and requires only routine bound-state multi-electron quantum calculations. Such computations are accessible by most of the free or commercial quantum chemistry software available for atoms and molecules. The perturbation potential is implemented as a spherical Gaussian function with a fixed width. Stability of the analytic continuation technique with respect to the width and with respect to the input range of electron affinities is studied in detail. The computed resonance parameters E-r = 0.282 eV, Gamma = 0.316 eV for the 2p state of Be- and E-r = 0.188 eV, Gamma = 0.167 for the 3p state of Mg- agree well with the best results obtained by much more elaborate and computationally demanding present-day methods.

Název v anglickém jazyce

Shape resonances of Be- and Mg- investigated with the method of analytic continuation

Popis výsledku anglicky

The regularized method of analytic continuation is used to study the low-energy negative-ion states of beryllium (configuration 2s(2)epsilon p P-2) and magnesium (configuration 3s(2)epsilon p P-2) atoms. The method applies an additional perturbation potential and requires only routine bound-state multi-electron quantum calculations. Such computations are accessible by most of the free or commercial quantum chemistry software available for atoms and molecules. The perturbation potential is implemented as a spherical Gaussian function with a fixed width. Stability of the analytic continuation technique with respect to the width and with respect to the input range of electron affinities is studied in detail. The computed resonance parameters E-r = 0.282 eV, Gamma = 0.316 eV for the 2p state of Be- and E-r = 0.188 eV, Gamma = 0.167 for the 3p state of Mg- agree well with the best results obtained by much more elaborate and computationally demanding present-day methods.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10300 - Physical sciences

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

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

Rok uplatnění

2018

Kód důvěrnosti údajů

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

Název periodika

Physical Review A

ISSN

2469-9926

e-ISSN

—

Svazek periodika

97

Číslo periodika v rámci svazku

5

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

6

Strana od-do

—

Kód UT WoS článku

000432019800010

EID výsledku v databázi Scopus

2-s2.0-85046933692