Dependence of interatomic decay widths on the symmetry of the decaying state: Analytical expressions and ab initio results

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11320%2F10%3A10077888" target="_blank" >RIV/00216208:11320/10:10077888 - isvavai.cz</a>

Výsledek na webu

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DOI - Digital Object Identifier

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Jazyk výsledku

angličtina

Název v původním jazyce

Dependence of interatomic decay widths on the symmetry of the decaying state: Analytical expressions and ab initio results

Popis výsledku v původním jazyce

In this article, we investigate the dependence of interatomic Coulombic decay widths on the symmetry of the decaying state. In this type of decay, excited, ionized, and doubly ionized states of an atom or molecule can efficiently relax by ionizing theirenvironment. We concentrate on an atom A and a neighboring atom B and consider such excited, ionized, or doubly ionized states of A that decay by emitting a single photon if A were an isolated atom. Analytical expressions for the various widths are derived for large interatomic distances R. A pronounced dependence of the widths on the symmetry properties of the decaying state is found. This dependence at large R is related to the dependence of the interaction energy of two classical dipoles on their mutual orientation. Comparison with precise ab initio calculations shows that the analytical results hold well at large R, while they deviate from the ab initio values at smaller R due to the effect of orbital overlap.

Název v anglickém jazyce

Dependence of interatomic decay widths on the symmetry of the decaying state: Analytical expressions and ab initio results

Popis výsledku anglicky

In this article, we investigate the dependence of interatomic Coulombic decay widths on the symmetry of the decaying state. In this type of decay, excited, ionized, and doubly ionized states of an atom or molecule can efficiently relax by ionizing theirenvironment. We concentrate on an atom A and a neighboring atom B and consider such excited, ionized, or doubly ionized states of A that decay by emitting a single photon if A were an isolated atom. Analytical expressions for the various widths are derived for large interatomic distances R. A pronounced dependence of the widths on the symmetry properties of the decaying state is found. This dependence at large R is related to the dependence of the interaction energy of two classical dipoles on their mutual orientation. Comparison with precise ab initio calculations shows that the analytical results hold well at large R, while they deviate from the ab initio values at smaller R due to the effect of orbital overlap.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BG - Jaderná, atomová a molekulová fyzika, urychlovače

OECD FORD obor

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Projekt

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Návaznosti

Z - Vyzkumny zamer (s odkazem do CEZ)

Rok uplatnění

2010

Kód důvěrnosti údajů

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

Název periodika

Physical Review A - Atomic Molecular and Optical Physics

ISSN

1050-2947

e-ISSN

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Svazek periodika

81

Číslo periodika v rámci svazku

1

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

12

Strana od-do

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Kód UT WoS článku

000274001500096

EID výsledku v databázi Scopus

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