Ab-initio theory of photoionization via resonances
The result's identifiers
Result code in 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>
Result on the web
<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>
Alternative languages
Result language
angličtina
Original language name
Ab-initio theory of photoionization via resonances
Original language description
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
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10306 - Optics (including laser optics and quantum optics)
Result continuities
Project
—
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2019
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Journal of Chemical Physics
ISSN
0021-9606
e-ISSN
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Volume of the periodical
150
Issue of the periodical within the volume
20
Country of publishing house
US - UNITED STATES
Number of pages
8
Pages from-to
1-8
UT code for WoS article
000473301400016
EID of the result in the Scopus database
2-s2.0-85066863908