Theoretical level energies and transition data for 4p64d8, 4p54d9 and 4p64d74f configurations of W<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline" id="d1e65915" altimg="si109.svg"><mml:msup><mml:mrow/><mml:mrow><mml:mn>30</mml:mn><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:math> ion

Karpuškienė, R.; Kisielius, R.

doi:10.1016/j.adt.2021.101478

Atomic Data and Nuclear Data Tables

2022

DOI: 10.1016/j.adt.2021.101478

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Theoretical level energies and transition data for 4p64d8, 4p54d9 and 4p64d74f configurations of W30+ ion

R. Karpuškienė

R. Kisielius

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Theoretical level energies and transition data for 4p64d6, 4p
Karpuškienė
¹
,
Kisielius
²

2023
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Theoretical level energies and transition data for 4p64d7, 4p
Karpuškienė,
Kisielius
2025
Atomic Data and Nuclear Data Tables
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Second-order Rayleigh–Schrödinger perturbation theory for the GRASP2018 package: Core–valence correlations

Gaigalas,

Rynkun,

Kitovienė

2024

physics

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The General Relativistic Atomic Structure package [GRASP2018, C. Froese Fischer, G. Gaigalas, P. Jönsson, and J. Bieroń, Comput. Phys. Commun. (2019), DOI: 10.1016/j.cpc.2018.10.032] is based on multiconfiguration Dirac– Hartree–Fock and relativistic configuration interaction (RCI) methods for energy structure calculations. The atomic state function used in the program is built from the set of configuration state functions (CSFs). The valence–valence, core–valence and core–core correlations are explicitly included through expansions over CSFs in RCI. We present a combination of RCI and the stationary second-order Rayleigh–Schrödinger many-body perturbation theory in an irreducible tensorial form to account for electron core–valence correlations when an atom or ion has any number of valence electrons. This newly developed method, which offers two ways of use, allows a significant reduction of the CSF space for complex atoms and ions. We also demonstrate how the method and program works for the energy structure calculation of Cl III ion.

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Theoretical level energies and transition data for 4p64d8, 4p54d9 and 4p64d74f configurations of W30+ ion

Cited by 3 publications

References 26 publications

Theoretical level energies and transition data for 4p64d6, 4p
Karpuškienė
¹
,
Kisielius
²

2023
Atomic Data and Nuclear Data Tables
2
0
0
0
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Theoretical level energies and transition data for 4p64d6, 4p
Karpuškienė
¹
,
Kisielius
²

2023
Atomic Data and Nuclear Data Tables
2
0
0
0
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Theoretical level energies and transition data for 4p64d7, 4p
Karpuškienė,
Kisielius
2025
Atomic Data and Nuclear Data Tables
0
0
0
0
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Second-order Rayleigh–Schrödinger perturbation theory for the GRASP2018 package: Core–valence correlations

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Theoretical level energies and transition data for 4p64d8, 4p54d9 and 4p64d74f configurations of W30+ ion

Cited by 3 publications

References 26 publications

Theoretical level energies and transition data for 4p64d6, 4pKarpuškienė1, Kisielius2 2023Atomic Data and Nuclear Data Tables2000View full textAdd to dashboardCite

Theoretical level energies and transition data for 4p64d6, 4pKarpuškienė1, Kisielius2 2023Atomic Data and Nuclear Data Tables2000View full textAdd to dashboardCite

Theoretical level energies and transition data for 4p64d7, 4pKarpuškienė, Kisielius 2025Atomic Data and Nuclear Data Tables0000View full textAdd to dashboardCite

Second-order Rayleigh–Schrödinger perturbation theory for the GRASP2018 package: Core–valence correlations

Contact Info

Product

Resources

About

Theoretical level energies and transition data for 4p64d6, 4p
Karpuškienė
¹
,
Kisielius
²

2023
Atomic Data and Nuclear Data Tables
2
0
0
0
View full text Add to dashboard Cite

Theoretical level energies and transition data for 4p64d6, 4p
Karpuškienė
¹
,
Kisielius
²

2023
Atomic Data and Nuclear Data Tables
2
0
0
0
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Theoretical level energies and transition data for 4p64d7, 4p
Karpuškienė,
Kisielius
2025
Atomic Data and Nuclear Data Tables
0
0
0
0
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