Search

By systematic Rayleigh–Ritz variation calculations, the energies are reported for the core-excited states 1s2s2p2 5P and 1s2p3 5So in the Be-like isoelectronic sequence (Z = 11–20). Energy corrections, including the restricted variational method, mass polarisation, and relativistic effect, are considered to improve the accuracy of energy. The oscillator strengths and transition wavelength between these states are also reported. Computational data on hyperfine structures presented in this paper are calculated for the first time.

Nonrelativistic energies and wave functions of the 1s22s2p 3Po states of Be isoelectronic sequence (Z = 11–18) are calculated using the full core plus correlation method (FCPC). To obtain the accurate energy level, the relativistic corrections and mass polarization effect are included by using the first-order perturbation theory. The calculated excitation energies (relative to the 1s22s2 ground state) are compared with the experiment. Most of the calculated [Formula: see text] energies agree with the experiment to within a few inverse centimetres. The calculated hyperfine coupling constants are in good agreement with the latest theoretical data in the literature. Our results may provide valuable reference data for spectral analysis and identification in the future.

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.

Energies 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

The 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

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.

The relativistic energies, the oscillator strength, and the lifetimes of high-lying core-excited states 1s2s2pnp 5P (n=2–5) and 1s2p2mp 5So (m=2–5) of Li- ion are calculated with the saddle-point variational method and restricted variation method. The fine structure and the hyperfine structure of the core-excited states for this system are also explored. The results are compared with other theoretical and experimental data in the literature.

Variational calculations are carried out with a multiconfiguration-interaction wavefunction on the 1s22p2p 1De 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.

The saddle-point variational method and restricted variational method are used to obtain the relativistic energies of high-lying core-excited states 1s2s2pnp 5P (n = 2–6) and 1s2p2mp 5So (m = 2–6) in beryllium, including the mass polarization and relativistic corrections. The oscillator strengths and transition rates 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 explored.

The relativistic energies, fine structures, hyperfine structures, Auger rates and widths of the core-excited states for the Li isoelectronic sequence (Z = 10?20) are studied using the saddle-point variational method and the saddle-point complex-rotation method. The oscillator strengths, radiative rates, wavelengths and lifetimes are also reported. Properties such as fine-structure splitting, radiative and Auger rate regularly change along the Li isoelectronic sequence are discussed. The results are compared with other theoretical and experimental data in the literature.