Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths

Savukov, I. M.; Filin, D. V.

doi:10.1103/PhysRevA.90.063428

Title: Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths

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Abstract

Many applications are in need of accurate photoionization cross sections, especially in the case of complex atoms. Configuration-interaction relativistic-many-body-perturbation theory (CI-RMBPT) has been successful in predicting atomic energies, matrix elements between discrete states, and other properties, which is quite promising, but it has not been applied to photoionization problems owing to extra complications arising from continuum states. In this paper a method that will allow the conversion of discrete CI-(R)MPBT oscillator strengths (OS) to photoionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, and Xe are calculated. A consistent agreement with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experimental results compared to the particle-hole CI method. As a result, the demonstrated conversion method can be applied to CI-RMBPT photoionization calculations for a large number of multivalence atoms and ions.

Authors:

Savukov, I. M. ^[1]; Filin, D. V. ^[2]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
New Mexico Consortium, Los Alamos, NM (United States)

Publication Date:: Mon Dec 29 00:00:00 EST 2014

Research Org.:: Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

Sponsoring Org.:: USDOE

OSTI Identifier:: 1234448

Alternate Identifier(s):: OSTI ID: 1181057

Report Number(s):: LA-UR-14-27819
Journal ID: ISSN 1050-2947; PLRAAN; TRN: US1600380

Grant/Contract Number:: AC52-06NA25396

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review. A

Additional Journal Information:: Journal Volume: 90; Journal Issue: 6; Journal ID: ISSN 1050-2947

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 74 ATOMIC AND MOLECULAR PHYSICS

Citation Formats


                    Savukov, I. M., and Filin, D. V. Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths.  United States: N. p., 2014. 
Web.  doi:10.1103/PhysRevA.90.063428.

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                    Savukov, I. M., & Filin, D. V. Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths.  United States.  https://doi.org/10.1103/PhysRevA.90.063428

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                    Savukov, I. M., and Filin, D. V. Mon .  
"Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths".  United States.  https://doi.org/10.1103/PhysRevA.90.063428.  https://www.osti.gov/servlets/purl/1234448.

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@article{osti_1234448,

  title        = {Configuration-interaction relativistic-many-body-perturbation-theory calculations of photoionization cross sections from quasicontinuum oscillator strengths},

  author       = {Savukov, I. M. and Filin, D. V.},

  abstractNote = {Many applications are in need of accurate photoionization cross sections, especially in the case of complex atoms. Configuration-interaction relativistic-many-body-perturbation theory (CI-RMBPT) has been successful in predicting atomic energies, matrix elements between discrete states, and other properties, which is quite promising, but it has not been applied to photoionization problems owing to extra complications arising from continuum states. In this paper a method that will allow the conversion of discrete CI-(R)MPBT oscillator strengths (OS) to photoionization cross sections with minimal modifications of the codes is introduced and CI-RMBPT cross sections of Ne, Ar, Kr, and Xe are calculated. A consistent agreement with experiment is found. RMBPT corrections are particularly significant for Ar, Kr, and Xe and improve agreement with experimental results compared to the particle-hole CI method. As a result, the demonstrated conversion method can be applied to CI-RMBPT photoionization calculations for a large number of multivalence atoms and ions.},

  doi          = {10.1103/PhysRevA.90.063428},

  journal      = {Physical Review. A},

  number       = 6,

  volume       = 90,

  place        = {United States},

  year         = {Mon Dec 29 00:00:00 EST 2014},

  month        = {Mon Dec 29 00:00:00 EST 2014}

}

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