Simulation of (125) I Auger emission spectrum with new atomic parameters from MCDHF calculations

Jorge Miguel Sampaio; J Ekman; Pi Tee; Rickard du Rietz; B. Q. Lee; M. S. Pires; Per Jonsson; Tibor Kibedi; Maarten Vos; Andrew Stuchbery; Jose Manuel Pires Marques

doi:10.1016/j.jqsrt.2021.107964

Simulation of (125) I Auger emission spectrum with new atomic parameters from MCDHF calculations

Jorge Miguel Sampaio, J Ekman, Pi Tee, Rickard du Rietz, B. Q. Lee, M. S. Pires, Per Jonsson, Tibor Kibedi, Maarten Vos, Andrew Stuchbery, Jose Manuel Pires Marques

Research output: Contribution to journal › Article › peer-review

Abstract

New 125 I atomic decay emission data of medical interest are presented. The calculations are based on two atomic structure codes that implement the multi-configuration Dirac-Hartree-Fock method. Radiative and non-radiative ransition rates are calculated in this method and then used to generate the atomic deexcitation cascade. Subshell transition rates, level widths and fluorescence yields are compared to the Evaluated Atomic Data Library. Coster-Kronig and Auger electron emission yields are also compared with results from other authors. The comparison with the experimental electron emission spectrum shows that the new calculations can reproduce very well the structure of the K-LL Auger electron peaks and improve the description of the M Auger peaks below 300 eV. The 125 I dose-point kernel is also simulated using the new data, resulting in higher values below 10 nm when compared those obtained with the Evaluated Atomic Data Library. (c) 2021 Elsevier Ltd. All rights reserved.

Original language	English
Journal	Journal of Quantitative Spectroscopy & Radiative Transfer
Volume	277
DOIs	https://doi.org/10.1016/j.jqsrt.2021.107964
Publication status	Published - 2022

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@article{d2b4539d5c614978894079ddc79947d1,

title = "Simulation of (125) I Auger emission spectrum with new atomic parameters from MCDHF calculations",

abstract = "New 125 I atomic decay emission data of medical interest are presented. The calculations are based on two atomic structure codes that implement the multi-configuration Dirac-Hartree-Fock method. Radiative and non-radiative ransition rates are calculated in this method and then used to generate the atomic deexcitation cascade. Subshell transition rates, level widths and fluorescence yields are compared to the Evaluated Atomic Data Library. Coster-Kronig and Auger electron emission yields are also compared with results from other authors. The comparison with the experimental electron emission spectrum shows that the new calculations can reproduce very well the structure of the K-LL Auger electron peaks and improve the description of the M Auger peaks below 300 eV. The 125 I dose-point kernel is also simulated using the new data, resulting in higher values below 10 nm when compared those obtained with the Evaluated Atomic Data Library. (c) 2021 Elsevier Ltd. All rights reserved.",

author = "Sampaio, {Jorge Miguel} and J Ekman and Pi Tee and {du Rietz}, Rickard and Lee, {B. Q.} and Pires, {M. S.} and Per Jonsson and Tibor Kibedi and Maarten Vos and Andrew Stuchbery and {Pires Marques}, {Jose Manuel}",

year = "2022",

doi = "10.1016/j.jqsrt.2021.107964",

language = "English",

volume = "277",

journal = "Journal of Quantitative Spectroscopy & Radiative Transfer",

publisher = "Pergamon-Elsevier Ltd",

}

TY - JOUR

T1 - Simulation of (125) I Auger emission spectrum with new atomic parameters from MCDHF calculations

AU - Sampaio, Jorge Miguel

AU - Ekman, J

AU - Tee, Pi

AU - du Rietz, Rickard

AU - Lee, B. Q.

AU - Pires, M. S.

AU - Jonsson, Per

AU - Kibedi, Tibor

AU - Vos, Maarten

AU - Stuchbery, Andrew

AU - Pires Marques, Jose Manuel

PY - 2022

Y1 - 2022

N2 - New 125 I atomic decay emission data of medical interest are presented. The calculations are based on two atomic structure codes that implement the multi-configuration Dirac-Hartree-Fock method. Radiative and non-radiative ransition rates are calculated in this method and then used to generate the atomic deexcitation cascade. Subshell transition rates, level widths and fluorescence yields are compared to the Evaluated Atomic Data Library. Coster-Kronig and Auger electron emission yields are also compared with results from other authors. The comparison with the experimental electron emission spectrum shows that the new calculations can reproduce very well the structure of the K-LL Auger electron peaks and improve the description of the M Auger peaks below 300 eV. The 125 I dose-point kernel is also simulated using the new data, resulting in higher values below 10 nm when compared those obtained with the Evaluated Atomic Data Library. (c) 2021 Elsevier Ltd. All rights reserved.

AB - New 125 I atomic decay emission data of medical interest are presented. The calculations are based on two atomic structure codes that implement the multi-configuration Dirac-Hartree-Fock method. Radiative and non-radiative ransition rates are calculated in this method and then used to generate the atomic deexcitation cascade. Subshell transition rates, level widths and fluorescence yields are compared to the Evaluated Atomic Data Library. Coster-Kronig and Auger electron emission yields are also compared with results from other authors. The comparison with the experimental electron emission spectrum shows that the new calculations can reproduce very well the structure of the K-LL Auger electron peaks and improve the description of the M Auger peaks below 300 eV. The 125 I dose-point kernel is also simulated using the new data, resulting in higher values below 10 nm when compared those obtained with the Evaluated Atomic Data Library. (c) 2021 Elsevier Ltd. All rights reserved.

U2 - 10.1016/j.jqsrt.2021.107964

DO - 10.1016/j.jqsrt.2021.107964

M3 - Article

VL - 277

JO - Journal of Quantitative Spectroscopy & Radiative Transfer

JF - Journal of Quantitative Spectroscopy & Radiative Transfer

ER -

Simulation of (125) I Auger emission spectrum with new atomic parameters from MCDHF calculations

Abstract

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