Mass Polarization Corrections Research Articles

Energy levels, radiative transitions and Auger transitions of the core excited states for B-like ions

Energy levels, radiative transitions and Auger transitions of the core excited states from 1s2s22p2 and 1s2s2p3 2,4L (L=S,P,D) configurations for B-like systems including P10+, Ca15+, Mn20+, and Zn25+ ions are calculated using the saddle-point variation and saddle-point complex-rotation methods. The first-order perturbation theory is used to calculate relativistic and mass polarization corrections. Present energy levels, radiative transition rates and wavelengths, Auger rates and electron energies are compared with theoretical and experimental values in the literature. The total radiative rates and the total Auger rates for these resonances are also discussed with nuclear charge numbers.

Inner-shell excitation energy levels, and radiative and Auger transitions of B-like nitrogen

Inner-shell excitation energy levels, and radiative and Auger transitions of the 1s2s22p2, 1s2s22p3p, 1s2s2p3, 1s2p4, and 1s2p33p 2,4L (L = S, P, D) resonances for B-like nitrogen are calculated using the saddle-point variation and saddle-point complex-rotation methods. The first-order perturbation theory is used to calculate relativistic and mass polarization corrections. Present autoionization energy levels, radiative transition rates and wavelengths, Auger rates, and Auger electron energies for these resonances agree well with theoretical and experimental data available in the literature, and will provide valuable background data for astrophysics and plasma physics in future.

Energy, fine structure, hyperfine structure, and transitions for the high-lying multi-excited 4Pe,o states of B-like ions

The energies of the high-lying multi-excited states 1s22s2pnl and 1s22p2nl 4Pe,o (n ≥ 2) for B-like C+, N2+, F4+, and Mg7+ ions are calculated using Rayleigh–Ritz variation method with multiconfiguration interaction, and the inclusion of mass polarization and relativistic corrections. The fine structure and hyperfine structure for these systems are investigated using first-order perturbation theory. The configuration structure of the high-lying multi-excited series is identified not only by energy, but also by its contribution to normalization of the angular spin components, and it is further tested by the addition of relativistic corrections and fine structure splittings. Transition wavelengths including the quantum electrodynamic effects and higher-order relativistic corrections are determined.

Energy, fine structure, hyperfine structure, and radiative transition rates of the high-lying multi-excited states for B-like neon

The Rayleigh-Ritz variational method with multiconfiguration interaction wave functions is used to obtain the energies of high-lying multi-excited quartet states 1s 22s2pnl and 1s 22p 2 nl 4Pe,o (n ≥ 2) in B-like neon, including the mass polarization and relativistic corrections. The fine structure and hyperfine structure of the excited quartet states for this system are investigated. Configuration structures of the high-lying multi-excited series are further identified by relativistic corrections and fine structure splittings. The transition rates and wavelengths are also calculated. Calculated wavelengths include the quantum electrodynamic effects. The results are compared with other theoretical and experimental data in the literature.

Energies, radiative and Auger transitions of the core-excited states for the boron atom

Energies, radiative and Auger transitions of the 1s vacancy resonances 1s2s22p2, 1s2s22p3p, 1s2s2p3, 1s2p4, and 1s2p33p, 4L (L=S, P, D) for the neutral boron atom are calculated using the saddle-point variation and saddle-point complex-rotation methods. Large-scale wave functions are used to obtain reliable results. Relativistic and mass polarization corrections are included by the first-order perturbation theory. The calculated term energies, x-ray wavelengths, and Auger electron energies for these core-excited states are compared with available theoretical and experimental results. Auger electron energies and branching ratios are used to identify high-resolution B Auger spectrum produced in 300keV B+ on CH4 collision experiment. It is found that the Auger decay of core-excited states of the boron atom gives significant contributions to Auger spectrum in the range of 165–210eV, and many previously unknown line identifications are presented.

Energies, fine structure, and radiative transitions of the high-lying core-excited states [formula omitted] and [formula omitted] ([formula omitted]) for the boron isoelectronic sequence

The Rayleigh–Ritz variation method using a multiconfiguration interaction wavefunction is carried out on the high-lying core-excited states 6Se,o(n) and 6Pe,o(n) (n=1–5) for the boron isoelectronic sequence (Z=6–10), including mass polarization and relativistic corrections. Energy levels, fine structure, transition rates, and transition wavelengths for this system are calculated. Some energy levels of the high-n states are reported for the first time. Wavelengths of the electric-dipole transitions from these core-excited sextet states with quantum electro-dynamical effects and higher-order relativistic corrections are included. The lifetimes of the 1s2s2p23p6So,1s2p33s6So,1s2s2p23s6P, 1s2s2p23d6P, and 1s2p33p6P states for the boron isoelectronic sequence are also reported. Our calculated results agree well in most cases with available theoretical and experimental data in the literature.

Energies and the radiative and Auger transition rates of1s2p4resonances of B-like ions

Energy levels and the radiative and Auger transition rates of the 1$s$2${p}^{4}$ ${}^{2,4}L$ ($L=S$, $P$, $D$) resonances in the boron isoelectronic sequence are calculated using the saddle-point variation and saddle-point complex-rotation methods. Large-scale wave functions are used to saturate the functional space. Relativistic and mass polarization corrections are included by the first-order perturbation theory. The Auger branching ratios of the important decay channels for these core-excited states are calculated. The reliable transition wavelengths and Auger electron energies are used to identify available x-ray spectra and Auger electron spectra. Identifications of several unknown experimental lines from 1$s$2${p}^{4}$ resonances are reported. The total radiative rates and total Auger rates of these 1$s$2${p}^{4}$ resonances are also reported and discussed along with the increase of atomic number $Z$. It is found that the total Auger rates are several orders of magnitude greater than the total radiative rates in these low-$Z$ ions.

D1andD2lines in6Li and7Li including QED effects

Accurate theoretical predictions including leading QED corrections for $2^2P_{1/2} - 2^2S_{1/2}$ (D1) and $2^2P_{3/2} - 2^2S_{1/2}$ (D2) transition energies have been obtained for $^{6,7}$Li isotopes. Our results for the Bethe logarithms $\ln k_0(2^2S) = 5.178\,169(4)$, and for mass polarization corrections $\Delta \ln k_0(2^2S) = 0.113\,81(3)$ are in disagreement with ones obtained recently in the literature. In contrast, results $\ln k_0(2^2P) = 5.179\,81(7)$ and $\Delta \ln k_0(2^2P) = 0.111\,3(5)$ are in good agreement with them. From our theoretical predictions and recent measurements of $^{6,7}$Li D-lines at NIST, we determine the mean square charge radius difference between $^7$Li and $^6$Li nuclei, in agreement with determinations based on the $3^2S_{1/2}-2^2S_{1/2}$ transition, what demonstrates consistency of atomic spectroscopy determination of fundamental properties of nuclei.

Energy levels, Auger branching ratios, and radiative rates of the core-excited states of B-like carbon

Energy levels, Auger branching ratios, and radiative rates of the core-excited states of B-like carbon are calculated by the saddle-point variation and saddle-point complex-rotation methods. Relativistic and mass polarization corrections are included using first-order perturbation theory. Calculated Auger channel energies and branching ratios are used to identify high-resolution Auger spectrum in the 300-keV C(+) → CH(4) collision experiment. It is found that Auger decay of these five-electron core-excited states gives significant contributions to Auger spectrum in the range of 238-280 eV.

Relativistic configuration-interaction calculations of then=3-3 transition energies in highly charged tungsten ions

A large-scale relativistic configuration-interaction calculation of the $n=3$-3 transition energies for Ne- to Ar-like tungsten is carried out. The calculation is based on the relativistic no-pair Hamiltonian and uses finite $B$-spline orbitals in a cavity as basis functions. Quantum electrodynamic and mass polarization corrections are also included. Results are compared with other theories and with experiment, and are generally found to be more reliable than previous theoretical predictions.

Energies, fine structures, and radiative lifetimes for the multiexcited quartet states of B‐like oxygen

AbstractEnergies for the multiexcited states 1s22s2pnl and 1s22p2nl 4Pe,o (n ≥ 2) of B‐like oxygen are calculated using Rayleigh–Ritz variation method with configuration interaction. The mass polarization and relativistic corrections are obtained with first‐order perturbation theory. Configuration structures of the high‐lying multiexcited series are identified by energies and contribution to normalization of angular‐spin components. These structures are further checked by calculations of relativistic corrections and fine structure splittings. Hyperfine parameters and hyperfine coupling constants are calculated for the first time. Wavelengths including quantum electrodynamic effect and higher‐order relativistic corrections and lifetimes are also calculated. These results are compared with available results in the literature. © 2011 Wiley Periodicals, Inc. Int J Quantum Chem, 2012

Relativistic Energies and Auger Widths of High-Lying Doubly-Excited States 1s23lnl′ 1De in Be-Like O4+ Ions

The saddle-point variational method and restricted variational method are used to calculate energies of doubly-excited singlet states 1s23lnl′ (n = 3–5) 1De in Be-like O4+ ions, including the mass polarization and relativistic corrections. The saddle-point complex-rotation method is used to compute the Auger widths and Auger transition rates. These results are compared with other theoretical and experimental data in the literature.

Energies, fine structures, and Auger widths of the high-lying triply excited states of 2S(m) and 2D(m) (m=2—7) for the “hollow atom” lithium

The relativistic energies and fine structures of the high-lying triply excited states 2l2l′nl″ 2S(m) and 2D(m) (m=2—7) for the “hollow atom” lithium are studied using the saddle-point variational method and the saddle-point complex-rotation method, including the mass polarization and relativistic corrections. The partial Auger widths and the total widths are also calculated. By the discussion of relativistic effect, we recalibrated the configurations of 2S(7) , 2D(6) and 2D(7).

High‐lying core‐excited quartet states in Li‐like N4+ and F6+ ions

AbstractThe variational method with mutilconfiguration interaction wave function is used to obtain the energies, fine structures, and hyperfine structures of high‐lying core‐excited quartet states 1s2lnl' 4Po(m) (m = 1–5) and 1s2pnp 4P(m) (m = 1–5) in Li‐like N4+ and F6+ ions, including the mass polarization and relativistic corrections. Restricted variational method is carried out to extrapolate a better energy. The oscillator strengths, lifetime, wavelengths, fine structure, and hyperfine structure for this system are also investigated to compare with other theoretical and experimental data in the literature. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010

Inner-shell excited quartet states in Li-like O5+ and Ne7+ ions

The Rayleigh-Ritz variational method and a configuration-interaction wave function are used to obtain the energies, fine structures and hyperfine structures of high-lying core excited quartet states \(1s2lnl^\prime\,\!^{4}{\rm P}^{0}(n)~(n=1\!-\!5)\) and \(1s2pnp\,\!^{4}{\rm P}(m)~(m=1\!-\!5)\) in O5+ and Ne7+ ions, including the mass polarization and relativistic corrections. Restricted variational method is carried out to extrapolate a better energy. The wavelengths, oscillator strengths, and lifetimes are also explored. The results compared with other theoretical and experimental data in the literature.

A large-scale relativistic configuration-interaction calculation for the [formula omitted]– [formula omitted] transition energies of copperlike heavy ions

The 4 s – 4 p transition energies for high- Z copperlike ions are calculated using the relativistic configuration-interaction (RCI) method. These calculations are based on the relativistic no-pair Hamiltonian which includes Coulomb and frequency-dependent, retarded Breit interactions and use B-spline orbitals as basis functions. Mass polarization and quantum electrodynamic (QED) corrections are also calculated. The present RCI energies agree very well with results from the relativistic many-body perturbation theory. With QED corrections included, our total transition energies are in very good agreement with recent high-precision measurements.

Relativistic energy, fine structure, and hyperfine-structure studies of the high-lying core-excited states 5P( n) ( n = 1–3) and 5S o( m) ( m = 1–3) for the Be-like isoelectronic sequence

The variational method using a multiconfiguration interaction wavefunction is carried out on the high-lying core-excited states 5P( n) ( n = 1–3) and 5S o( m) ( m = 1–3) for the Be-like isoelectronic sequence from Z = 7 to 10, including mass polarization and relativistic corrections. Relativistic energies, oscillator strengths, wavelengths, and lifetimes are reported. The results are compared with other theoretical and experimental data in the literature. The fine structure and hyperfine structure of core-excited states for this system are also investigated.

Relativistic energy, fine structure and hyperfine structure of the low-lying excited states for Be-like system

Variational calculations are carried out with a multiconfiguration-interaction wavefunction on the 1s22p2p1De and 1s22p3p 3Pe states to obtain the energies including the mass polarization and relativistic corrections for the beryllium isoelectronic sequence (Z=4–10). The oscillator strengths, transition rates and wavelengths are also calculated. Our results are compared with other theoretical and experimental data in the literatures. The fine structure and hyperfine structure of 1s22p3p 3Pe state are also explored.

Relativistic energy, fine structure, and hyperfine structure of the high-lying core-excited statesP5(n)(n=1–7) andSo5(m)(m=1–5) for Be-like boron and carbon

The variational method with multiconfiguration interaction wave function is used to obtain the energies of high-lying core-excited states $^{5}P(n)$ ($n=1\char21{}7$) and $^{5}S^{o}(m)$ ($m=1\char21{}5$) in Be-like boron and carbon, including the mass polarization and relativistic corrections. Restricted variational method is carried out to extrapolate a better energy. The oscillator strengths, transition rates, and wavelengths are also calculated. The results are compared with other theoretical and experimental data in the literature. The fine structure and hyperfine structure of core-excited states for this system are also investigated.

Relativistic energies of the singly excited and doubly excited Rydberg series in helium

The Rayleigh-Ritz variational method is used with a multiconfiguration-interaction function to study the energies of singly excited and doubly excited Rydberg series in helium atom, including the mass polarization and relativistic corrections. The oscillator strengths, the transition rates, and the wavelengths are also calculated. The results are compared with other theoretical and experimental data in the literatures.