Completeness of the configuration interaction / close coupling expansion versus the relativistic formalism in R-matrix calculations

L. Fernández-Menchero, G. Del Zanna, N. R. Badnell

Research output: Contribution to journalConference Contribution

Abstract

R-matrix calculations have different sources of inaccuracy. We analyze the differences in the final results caused by differences in three aspects of the calculation: the atomic structure of the target, the completeness of the close coupling expansion, and the method used to include relativistic effects in the Hamiltonian. We present the electron-impact excitation of the ion Be-like Al9+ as a case study. We conclude that the completeness of the CI/CC expansion plays the most important role for the reliability of the results, mainly for the most highly-excited levels.

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completeness
configuration interaction
formalism
expansion
relativistic effects
atomic structure
electron impact
excitation
ions

Keywords

  • atoms
  • electron resonance
  • impact ionization
  • close coupling
  • configuration interactions
  • electron-impact excitation
  • excited levels
  • R-matrix calculation
  • relativistic effects
  • electric excitation

Cite this

@article{ce8f2731fe284dea82ae0a5e9dcdc503,
title = "Completeness of the configuration interaction / close coupling expansion versus the relativistic formalism in R-matrix calculations",
abstract = "R-matrix calculations have different sources of inaccuracy. We analyze the differences in the final results caused by differences in three aspects of the calculation: the atomic structure of the target, the completeness of the close coupling expansion, and the method used to include relativistic effects in the Hamiltonian. We present the electron-impact excitation of the ion Be-like Al9+ as a case study. We conclude that the completeness of the CI/CC expansion plays the most important role for the reliability of the results, mainly for the most highly-excited levels.",
keywords = "atoms, electron resonance, impact ionization, close coupling, configuration interactions, electron-impact excitation, excited levels, R-matrix calculation, relativistic effects, electric excitation",
author = "L. Fern{\'a}ndez-Menchero and {Del Zanna}, G. and Badnell, {N. R.}",
year = "2015",
month = "9",
day = "7",
doi = "10.1088/1742-6596/635/5/052034",
language = "English",
volume = "635",
journal = "Journal of Physics: Conference Series",
issn = "1742-6588",
number = "5",

}

Completeness of the configuration interaction / close coupling expansion versus the relativistic formalism in R-matrix calculations. / Fernández-Menchero, L.; Del Zanna, G.; Badnell, N. R.

In: Journal of Physics: Conference Series , Vol. 635, No. 5, 052034, 07.09.2015.

Research output: Contribution to journalConference Contribution

TY - JOUR

T1 - Completeness of the configuration interaction / close coupling expansion versus the relativistic formalism in R-matrix calculations

AU - Fernández-Menchero, L.

AU - Del Zanna, G.

AU - Badnell, N. R.

PY - 2015/9/7

Y1 - 2015/9/7

N2 - R-matrix calculations have different sources of inaccuracy. We analyze the differences in the final results caused by differences in three aspects of the calculation: the atomic structure of the target, the completeness of the close coupling expansion, and the method used to include relativistic effects in the Hamiltonian. We present the electron-impact excitation of the ion Be-like Al9+ as a case study. We conclude that the completeness of the CI/CC expansion plays the most important role for the reliability of the results, mainly for the most highly-excited levels.

AB - R-matrix calculations have different sources of inaccuracy. We analyze the differences in the final results caused by differences in three aspects of the calculation: the atomic structure of the target, the completeness of the close coupling expansion, and the method used to include relativistic effects in the Hamiltonian. We present the electron-impact excitation of the ion Be-like Al9+ as a case study. We conclude that the completeness of the CI/CC expansion plays the most important role for the reliability of the results, mainly for the most highly-excited levels.

KW - atoms

KW - electron resonance

KW - impact ionization

KW - close coupling

KW - configuration interactions

KW - electron-impact excitation

KW - excited levels

KW - R-matrix calculation

KW - relativistic effects

KW - electric excitation

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UR - http://iopscience.iop.org/1742-6596

UR - http://www.icpeac2015.com/

U2 - 10.1088/1742-6596/635/5/052034

DO - 10.1088/1742-6596/635/5/052034

M3 - Conference Contribution

VL - 635

JO - Journal of Physics: Conference Series

T2 - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

SN - 1742-6588

IS - 5

M1 - 052034

ER -