Benchmarking calculations with spectroscopic accuracy of level energies and wavelengths in W LVII–W LXII tungsten ions

• Atomic properties of n=3 states of the W56+ - W61+ ions are systematically investigated through two state-of-the-art methods, namely, the second-order many-body perturbation theory, and the multi-configuration Dirac–Hartree–Fock method combined with the relativistic configuration interaction approach. The contributions of valence-valence and core-valence electron correlations, the Breit interaction, the higher-order retardation correction beyond the Breit interaction through the transverse photon interaction, and the quantum electrodynamical corrections to the excitation energies are studied in detail. The excitation energies and wavelengths obtained with the two methods agree with each other within ≈0.01%. The present results achieve spectroscopic accuracy and provide a benchmark test for various applications and other theoretical calculations of W56+ - W61+ ions. They will assist spectroscopists in their assignment and direct identification of observed lines in complex spectra.

Ämnesord

NATURVETENSKAP  -- Fysik -- Atom- och molekylfysik och optik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Atom and Molecular Physics and Optics (hsv//eng)

Nyckelord

Excitation energies

Highly charged tungsten ions

Multi-configuration Dirac–Hartree–Fock method

Second-order many-body perturbation theory

Wavelengths

Excited states

Metal ions

Molecular physics

Perturbation techniques

Quantum chemistry

Quantum theory

Tungsten

Atomic properties

Breit interaction

Energy

Highly charged tungsten ion

Second orders

State-of-the-art methods

Tungsten ions

Two-state

Benchmarking

accuracy assessment

electron

ion

spectroscopy

wavelength

Publikations- och innehållstyp

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