Ab-initio theory of photoionization via resonances

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F19%3A00517440" target="_blank" >RIV/68378271:_____/19:00517440 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1063/1.5098063" target="_blank" >https://doi.org/10.1063/1.5098063</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1063/1.5098063" target="_blank" >10.1063/1.5098063</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Ab-initio theory of photoionization via resonances

Popis výsledku v původním jazyce

An ab initio approach for computing the photoionization spectrum near autoionization resonances in multi-electron systems is presented. While traditional (Hermitian) theories typically require computing the continuum states, which are difficult to obtain with high accuracy, our non-Hermitian approach requires only discrete bound and metastable states, which can be accurately computed with available quantum chemistry tools. We derive a simple formula for the absorption line shape near Fano resonances, which relates the asymmetry of the spectral peaks to the phase of the complex transition dipole moment. Additionally, we present a formula for the ionization spectrum of laserdriven targets and relate the “Autler-Townes” splitting of spectral lines to the existence of exceptional points in the Hamiltonian. We apply our formulas to compute the autoionization spectrum of helium, but our theory is also applicable for nontrivial multi-electron atoms and molecules.n

Název v anglickém jazyce

Ab-initio theory of photoionization via resonances

Popis výsledku anglicky

An ab initio approach for computing the photoionization spectrum near autoionization resonances in multi-electron systems is presented. While traditional (Hermitian) theories typically require computing the continuum states, which are difficult to obtain with high accuracy, our non-Hermitian approach requires only discrete bound and metastable states, which can be accurately computed with available quantum chemistry tools. We derive a simple formula for the absorption line shape near Fano resonances, which relates the asymmetry of the spectral peaks to the phase of the complex transition dipole moment. Additionally, we present a formula for the ionization spectrum of laserdriven targets and relate the “Autler-Townes” splitting of spectral lines to the existence of exceptional points in the Hamiltonian. We apply our formulas to compute the autoionization spectrum of helium, but our theory is also applicable for nontrivial multi-electron atoms and molecules.n

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

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2019

Kód důvěrnosti údajů

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

Název periodika

Journal of Chemical Physics

ISSN

0021-9606

e-ISSN

—

Svazek periodika

150

Číslo periodika v rámci svazku

20

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

8

Strana od-do

1-8

Kód UT WoS článku

000473301400016

EID výsledku v databázi Scopus

2-s2.0-85066863908