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Register a new userHybrid subconfiguration-average and level-to-level distorted-wave treatment of electron-impact single ionisation of W$^{15+}$ and W$^{16+}$
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Recently, we have demonstrated (Jin et al. 2020, J. Phys. B: At. Mol. Opt. Phys. 53, 075201) that a hybrid subconfiguration-average and level-to-level distorted wave treatment of electron-impact single ionisation (EISI) of W$^{14+}$ ions represents an accurate and manageable approach for the calculation of EISI cross sections of a complex ion. Here we demonstrate the more general validity of this approach by comparing hybrid cross sections for EISI of W$^{15+}$ and W$^{16+}$ with the recent experimental results of Schury et al. 2020, J. Phys. B: At. Mol. Opt. Phys. 53, 015201). Our calculations also account for the resonant-excitation double autoionisation (REDA) process which is important in the electron energy range 370-600 eV and for the possible presence of initially metastable ions in the experiment.
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Absolute cross sections for electron-impact single ionisation (EISI) of multiply charged tungsten ions (W$^{q+}$) with charge states in the range $ 11 leq q leq 18$ in the electron-ion collision energy ranges from below the respective ionisation thresholds up to 1000~eV were measured employing the electron-ion crossed-beams method. In order to extend the results to higher energies, cross section calculations were performed using the subconfiguration-averaged distorted-wave (SCADW) method for electron-ion collision energies up to 150~keV. From the combined experimental and scaled theoretical cross sections rate coefficients were derived which are compared with the ones contained in the ADAS database and which are based on the configuration-averaged distorted wave (CADW) calculations of Loch et al. [Phys. Rev. A 72, 052716 (2005)]. Significant discrepancies were found at the temperatures where the ions investigated here are expected to form in collisionally ionised plasmas. These discrepancies are attributed to the limitations of the CADW approach and also the more detailed SCADW treatment which do not allow for a sufficiently accurate description of the EISI cross sections particularly at the ionisation thresholds.
The wavelength and rate of the $5p-5s$ transition of W XIV - W XVI ions have been calculated by the relativistic configuration interaction (RCI) method with the implementation of Flexible Atomic code (FAC). A reasonable collisional-radiative model (CRM) has been constructed to simulate the $5p - 5s$ transition spectrum of W XIV - W XVI ions which had been observed in electron beam ion trap (EBIT) device. The results are in reasonable agreement with the available experimental and theoretical data, and might be applied to identify the controversial spectra. The confusion on the assignment of the ionization stage are solved in the present work.
The electron correlation effects and Breit interaction as well as Quantum Electro-Dynamics (QED) effects were expected to have important contribution to the energy level and transition properties of heavy highly charged ions. The ground states [Ne]$3s^{2}3p^{6}3d^{2}$ and first excited states [Ne]3s$^{2}3p^{5}3d^{3}$ of W$^{54+}$ ion have been studied by using Multi-Configuration Dirac-Fock method with the implementation of Grasp2K package. A restricted active space was employed to investigate the correlation contribution from different models. The Breit interaction and QED effects were taken into account in the relativistic configuration interaction calculation with the converged wavefunction. It is found that the correlation contribution from 3s and 3p orbital have important contribution to the energy level, transition wavelength and probability of the ground and the first excited state of W$^{54+}$ ion.
The B-spline R-matrix and the convergent close-coupling methods are used to study electron collisions with neutral beryllium over an energy range from threshold to 100 eV. Coupling to the target continuum significantly affects the results for transitions from the ground state, but to a lesser extent the strong transitions between excited states. Cross sections are presented for selected transitions between low-lying physical bound states of beryllium, as well as for elastic scattering, momentum transfer, and ionization. The present cross sections for transitions from the ground state from the two methods are in excellent agreement with each other, and also with other available results based on nonperturbative convergent pseudo-state and time-dependent close-coupling models. The elastic cross section at low energies is dominated by a prominent shape resonance. The ionization from the $(2s2p)^3P$ and $(2s2p)^1P$ states strongly depends on the respective term. The current predictions represent an extensive set of electron scattering data for neutral beryllium, which should be sufficient for most modeling applications.
Double and triple ionization of allene are investigated using electron-electron, ion-ion, electron-electron-ion and electron-electron-ion-ion (ee, ii, eei, eeii) coincidence spectroscopies at selected photon energies. The results provide supporting evidence for a previously proposed roaming mechanism in H$_3^+$ formation by double ionisation. The lowest vertical double ionization energy is found to be 28.5 eV, while adiabatic double ionisation is not accessed by vertical ionisation at the neutral geometry. The triple ionization energy is found to be close to 50 eV in agreement with theoretical predictions. The doubly charged parent ion is stable up to about 2 eV above threshold, after which dissociations by charge separation and by double charge retention occur with comparable intensities. Fragmentation to H$^+$ + C$_3$H$_3^+$ starts immediately above threshold as a slow (metastable) decay with 130+/-10 ns mean lifetime.
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