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

doi:10.1088/1742-6596/635/5/052034

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

Physics

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

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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.

Original language	English
Article number	052034
Number of pages	1
Journal	Journal of Physics: Conference Series
Volume	635
Issue number	5
DOIs	https://doi.org/10.1088/1742-6596/635/5/052034
Publication status	Published - 7 Sept 2015
Event	XXIX International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC) - Toledo, Spain Duration: 22 Jul 2015 → 28 Jul 2015

Keywords

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

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10.1088/1742-6596/635/5/052034Licence: CC BY 3.0

Fernández-Menchero-etal-JPCS2015-configuration-interaction-close-coupling-expansion-versus-the-relativistic-formalismFinal published version, 217 KBLicence: CC BY 3.0

Cite this

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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",

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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

UR - https://www.scopus.com/pages/publications/84948844281

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

AN - SCOPUS:84948844281

SN - 1742-6588

VL - 635

JO - Journal of Physics: Conference Series

JF - Journal of Physics: Conference Series

IS - 5

M1 - 052034

T2 - XXIX International Conference on Photonic, Electronic, and Atomic Collisions (ICPEAC)

Y2 - 22 July 2015 through 28 July 2015

ER -

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

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Keywords

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