Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach

Abstract We formulate a computationally efficient time-independent method based on the multi-electron molecular R-matrix formalism. This method is used to calculate transition matrix elements for the multi-photon ionization of atoms and molecules under the influence of a perturbative field. The meth...

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Autores principales:	Jakub Benda, Zdeněk Mašín
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/f5cb44c9a3e54728adead940196d8132
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spelling	oai:doaj.org-article:f5cb44c9a3e54728adead940196d81322021-12-02T17:51:21ZMulti-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach10.1038/s41598-021-89733-z2045-2322https://doaj.org/article/f5cb44c9a3e54728adead940196d81322021-06-01T00:00:00Zhttps://doi.org/10.1038/s41598-021-89733-zhttps://doaj.org/toc/2045-2322Abstract We formulate a computationally efficient time-independent method based on the multi-electron molecular R-matrix formalism. This method is used to calculate transition matrix elements for the multi-photon ionization of atoms and molecules under the influence of a perturbative field. The method relies on the partitioning of space which allows us to calculate the infinite-range free-free dipole integrals analytically in the outer region, beyond the range of the initial bound wave function. This approach is valid for an arbitrary order, that is, any number of photons absorbed both in the bound and the continuum part of the spectrum (below- and above-threshold ionization). We calculate generalized multi-photon cross sections and angular distributions of different systems (H, He, $$\hbox {H}_{{2}}$$ H 2 , $$\hbox {CO}_{{2}}$$ CO 2 ) and validate our approach by comparison with data from the literature.Jakub BendaZdeněk MašínNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-19 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Jakub Benda Zdeněk Mašín Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach
description	Abstract We formulate a computationally efficient time-independent method based on the multi-electron molecular R-matrix formalism. This method is used to calculate transition matrix elements for the multi-photon ionization of atoms and molecules under the influence of a perturbative field. The method relies on the partitioning of space which allows us to calculate the infinite-range free-free dipole integrals analytically in the outer region, beyond the range of the initial bound wave function. This approach is valid for an arbitrary order, that is, any number of photons absorbed both in the bound and the continuum part of the spectrum (below- and above-threshold ionization). We calculate generalized multi-photon cross sections and angular distributions of different systems (H, He, $$\hbox {H}_{{2}}$$ H 2 , $$\hbox {CO}_{{2}}$$ CO 2 ) and validate our approach by comparison with data from the literature.
format	article
author	Jakub Benda Zdeněk Mašín
author_facet	Jakub Benda Zdeněk Mašín
author_sort	Jakub Benda
title	Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach
title_short	Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach
title_full	Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach
title_fullStr	Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach
title_full_unstemmed	Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach
title_sort	multi-photon above threshold ionization of multi-electron atoms and molecules using the r-matrix approach
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/f5cb44c9a3e54728adead940196d8132
work_keys_str_mv	AT jakubbenda multiphotonabovethresholdionizationofmultielectronatomsandmoleculesusingthermatrixapproach AT zdenekmasin multiphotonabovethresholdionizationofmultielectronatomsandmoleculesusingthermatrixapproach
_version_	1718379263444385792

Multi-photon above threshold ionization of multi-electron atoms and molecules using the R-matrix approach

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