One of the great difficulties in understanding nitrogen plasma elementary processes is the lack of an available database of the cross-sections of electron-impact excitations and radiations. Ab initio calculations of v...One of the great difficulties in understanding nitrogen plasma elementary processes is the lack of an available database of the cross-sections of electron-impact excitations and radiations. Ab initio calculations of vibrational excitation cross sections for electron collisions with nitrogen molecules in low-lying states using similarity function approach, such as a-a＇, a-w, B-B＇ and B-W transition systems, are reported here for the first time. In the meantime, the average excitation energies of neighboring levels of these systems have been calculated. In order to obtain the cross sections, accurate spectroscopic constants and transition dipole moments have been investigated. Potential energy curves and other electronic transition dipole moments for the low-lying states of N2 have been re-evaluated using complete active space self-consistent field （CASSCF） approach with aug-cc-pVqZ basis set. The calculated cross-sections could provide a database for studying the elementary processes and the properties in N2 plasma.展开更多
The electron-impact ionization of lithium-like ions C^(3+),N^(4+),O^(5+),Ne^(7+),and Fe2^(3+)is studied using a combination of two-potential distorted-wave and R-matrix methods with a relativistic correction.Total cro...The electron-impact ionization of lithium-like ions C^(3+),N^(4+),O^(5+),Ne^(7+),and Fe2^(3+)is studied using a combination of two-potential distorted-wave and R-matrix methods with a relativistic correction.Total cross sections are computed for incident energies from 1 to 10 times of ionization energy and better agreements with the experimental results are obtained in comparison with the theoretical data available.It is found that the indirect ionization processes become significant for the incident energy larger than about four times of the ionization energy.Contributions from the exchange effects along the isoelectronic sequence are also discussed and found to be important.The present method can be used to obtain systematic ionization cross sections for highly charged ions across a wide incident energy range.展开更多
Electron-impact single ionization cross sections for W^q＋（q = 4–5） were calculated using the flexible atomic code（FAC） in the level-to-level distorted-wave method, considering the explicit branching ratio. The c...Electron-impact single ionization cross sections for W^q＋（q = 4–5） were calculated using the flexible atomic code（FAC） in the level-to-level distorted-wave method, considering the explicit branching ratio. The calculated cross sections are compared with the available theoretical and experiment results in detail. In the case of the contribution from the same channles as the available theoretical results, all of the calculated ionization cross sections agree with the experimental measured cross sections. But the present calculated results are larger than the experimental measurement when all channels contributions are included. Some important channels excitation autoionization（EA） contributions, such as the excitation to higher higher nl subshell from 4 f and 5[s,p], were not included into the available theoretical calculation. In general, the distorted-wave（DW） results are overestimated.展开更多
Electron-impact single-ionization(EISI)cross sections for W^(q+)(q=9,10)ions have been calculated by using the level-to-level distorted-wave(LLDW)method with emphasis on the contribution of metastable states to the to...Electron-impact single-ionization(EISI)cross sections for W^(q+)(q=9,10)ions have been calculated by using the level-to-level distorted-wave(LLDW)method with emphasis on the contribution of metastable states to the total ionization cross sections.Contributions from direct-ionization(DI)and excitation-autoionization(EA)processes are taken into account.The calculated cross sections include the contributions from both the ground configuration and the long-lived metastable states with lifetimes exceeding 10^(-6)s.Calculated cross sections are in good agreement with experimental measurements when the influence of metastable states on the total ionization cross section are well considered.展开更多
The electron-impact single ionization cross section for W8+ion has been calculated using flexible atomic code,employing the level-to-level distorted-wave approximation.This calculations takes into account contribution...The electron-impact single ionization cross section for W8+ion has been calculated using flexible atomic code,employing the level-to-level distorted-wave approximation.This calculations takes into account contributions form both direct ionization(DI)and excitation autoionization(EA).However,the theoretical predictions,based solely on the ground state,tends to underestimate the experimental values.This discrepancy can be mitigated by incorporation contributions from excited states.We extended the theoretical analysis,including the contributions from the long-lived metastable states with lifetimes exceeding 1.5×10-5 s.We employed two statistical models to predict the fraction of ground state ions in the parent ion beam.Assuming a 79%fraction of parent ions in ground configuration,the experiment measurements align with the predictions.Furthermore we derived the theoretical cross-section for the ground state as correlated plasma rate coefficients,and compared it with existing data.Despite the uncertainty in our calculations,our results are still acceptable.展开更多
Spectral line widths produced by collisions between charged particles and emitters are of special interest for precise plasma spectroscopy.The highly charged Ar XV ion is demonstrated to have strong intrashell electro...Spectral line widths produced by collisions between charged particles and emitters are of special interest for precise plasma spectroscopy.The highly charged Ar XV ion is demonstrated to have strong intrashell electron interactions,which manifest as an atomic system with many resonance structures,due to the quasi-degeneracy of orbital energies.In this paper we use the relativistic R-matrix method to investigate the electron-impact broadening of highly charged Ar XV ion spectral lines under the impact approximation.It is found that the results considering resonance structures are significantly different from those of the distorted wave approach.Furthermore,we propose a new empirical formula with a correction term to take into account the effect of resonances for electron-impact widths over a relatively wide range of plasma conditions.The corresponding fitting parameters of the new empirical formula for all 47 calculated transitions are also given with an estimated accuracy within 1%,which should be convenient for practical applications.The dataset that supported the findings of this study is available in Science Data Bank,with the link https://doi.org/10.57760/sciencedb.j00113.00101.展开更多
Debye-screening effects on the electron-impact excitation(EIE)processes for the dipole-allowed transition 1 s_(2)^(1)S→1 s2 p^(1)P in He-like Al^(11+)and Fe^(24+)ions are investigated using the fully relativistic dis...Debye-screening effects on the electron-impact excitation(EIE)processes for the dipole-allowed transition 1 s_(2)^(1)S→1 s2 p^(1)P in He-like Al^(11+)and Fe^(24+)ions are investigated using the fully relativistic distorted-wave methods with the Debye-Huckel(DH)model potential.Debye-screening effects on the continuum-bound(CB)interaction and target ion are discussed,both of which result in reduction of EIE cross sections.This reduction due to screening on the CB interaction is dominant.The non-spherical and spherical DH potentials are adopted for considering the screening effect on the CB interaction.It is found that the spherical DH potential could significantly overestimate the influence of plasma screening on EIE cross sections for multielectron He-like ions.展开更多
基金supported by National Natural Science Foundation of China(Nos.11175035,10875023)the National Magnetic Confinement Fusion Science Program of China(No.2013GB109005)+1 种基金Chinesisch-Deutsches Forschungsprojekt(GZ768)the Fundamental Research Fundsfor the Central Universities of China(No.DUT12ZD(G)01)
文摘One of the great difficulties in understanding nitrogen plasma elementary processes is the lack of an available database of the cross-sections of electron-impact excitations and radiations. Ab initio calculations of vibrational excitation cross sections for electron collisions with nitrogen molecules in low-lying states using similarity function approach, such as a-a＇, a-w, B-B＇ and B-W transition systems, are reported here for the first time. In the meantime, the average excitation energies of neighboring levels of these systems have been calculated. In order to obtain the cross sections, accurate spectroscopic constants and transition dipole moments have been investigated. Potential energy curves and other electronic transition dipole moments for the low-lying states of N2 have been re-evaluated using complete active space self-consistent field （CASSCF） approach with aug-cc-pVqZ basis set. The calculated cross-sections could provide a database for studying the elementary processes and the properties in N2 plasma.
基金the National Natural Science Foundation of China(Grant Nos.11934004 and U1832201)the Science Challenge Project(Grant No.TZ2016005)the CAEP Foundation(Grant No.CX2019022).
文摘The electron-impact ionization of lithium-like ions C^(3+),N^(4+),O^(5+),Ne^(7+),and Fe2^(3+)is studied using a combination of two-potential distorted-wave and R-matrix methods with a relativistic correction.Total cross sections are computed for incident energies from 1 to 10 times of ionization energy and better agreements with the experimental results are obtained in comparison with the theoretical data available.It is found that the indirect ionization processes become significant for the incident energy larger than about four times of the ionization energy.Contributions from the exchange effects along the isoelectronic sequence are also discussed and found to be important.The present method can be used to obtain systematic ionization cross sections for highly charged ions across a wide incident energy range.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.2017YFA0402300,11464042,11564036,11774292,and 11464040)the Basic Scientific Research Foundation for Institution of Higher Learning of Gansu Province,China
文摘Electron-impact single ionization cross sections for W^q＋（q = 4–5） were calculated using the flexible atomic code（FAC） in the level-to-level distorted-wave method, considering the explicit branching ratio. The calculated cross sections are compared with the available theoretical and experiment results in detail. In the case of the contribution from the same channles as the available theoretical results, all of the calculated ionization cross sections agree with the experimental measured cross sections. But the present calculated results are larger than the experimental measurement when all channels contributions are included. Some important channels excitation autoionization（EA） contributions, such as the excitation to higher higher nl subshell from 4 f and 5[s,p], were not included into the available theoretical calculation. In general, the distorted-wave（DW） results are overestimated.
基金Project supported by the National Natural Science Foundation of China(Grant No.11404152)Fundamental Research Funds for the Central Universities(Grant No.lzujbky2017-94)。
文摘Electron-impact single-ionization(EISI)cross sections for W^(q+)(q=9,10)ions have been calculated by using the level-to-level distorted-wave(LLDW)method with emphasis on the contribution of metastable states to the total ionization cross sections.Contributions from direct-ionization(DI)and excitation-autoionization(EA)processes are taken into account.The calculated cross sections include the contributions from both the ground configuration and the long-lived metastable states with lifetimes exceeding 10^(-6)s.Calculated cross sections are in good agreement with experimental measurements when the influence of metastable states on the total ionization cross section are well considered.
基金Project supported by the National Natural Science Foundation of China(Grant No.12364034)the National Key Research and Development Program of China(Grant No.2022YFA1602501)the Science and Technology Project of Gansu Province,China(Grant No.23YFFA0074).
文摘The electron-impact single ionization cross section for W8+ion has been calculated using flexible atomic code,employing the level-to-level distorted-wave approximation.This calculations takes into account contributions form both direct ionization(DI)and excitation autoionization(EA).However,the theoretical predictions,based solely on the ground state,tends to underestimate the experimental values.This discrepancy can be mitigated by incorporation contributions from excited states.We extended the theoretical analysis,including the contributions from the long-lived metastable states with lifetimes exceeding 1.5×10-5 s.We employed two statistical models to predict the fraction of ground state ions in the parent ion beam.Assuming a 79%fraction of parent ions in ground configuration,the experiment measurements align with the predictions.Furthermore we derived the theoretical cross-section for the ground state as correlated plasma rate coefficients,and compared it with existing data.Despite the uncertainty in our calculations,our results are still acceptable.
基金the National Natural Science Foundation of China(Grant Nos.11934004,U1832201,and 12241410)the Science Challenge Project(Grant No.TZ2016005)+1 种基金the CAEP Foundation(Grant No.CX2019022)the Special Innovation Project for National Defense。
文摘Spectral line widths produced by collisions between charged particles and emitters are of special interest for precise plasma spectroscopy.The highly charged Ar XV ion is demonstrated to have strong intrashell electron interactions,which manifest as an atomic system with many resonance structures,due to the quasi-degeneracy of orbital energies.In this paper we use the relativistic R-matrix method to investigate the electron-impact broadening of highly charged Ar XV ion spectral lines under the impact approximation.It is found that the results considering resonance structures are significantly different from those of the distorted wave approach.Furthermore,we propose a new empirical formula with a correction term to take into account the effect of resonances for electron-impact widths over a relatively wide range of plasma conditions.The corresponding fitting parameters of the new empirical formula for all 47 calculated transitions are also given with an estimated accuracy within 1%,which should be convenient for practical applications.The dataset that supported the findings of this study is available in Science Data Bank,with the link https://doi.org/10.57760/sciencedb.j00113.00101.
基金Project supported by the Science Challenge Project(Grant No.TZ2016001)the National Key Research and Development Program of China(Grants Nos.2017YFA0403200 and 2017YFA0402300)+1 种基金the Funds for Innovative Fundamental Research Group Project of Gansu Province,China(Grant No.20JR5RA541)the National Natural Science Foundation of China(Grants Nos.11774037 and 12064041)。
文摘Debye-screening effects on the electron-impact excitation(EIE)processes for the dipole-allowed transition 1 s_(2)^(1)S→1 s2 p^(1)P in He-like Al^(11+)and Fe^(24+)ions are investigated using the fully relativistic distorted-wave methods with the Debye-Huckel(DH)model potential.Debye-screening effects on the continuum-bound(CB)interaction and target ion are discussed,both of which result in reduction of EIE cross sections.This reduction due to screening on the CB interaction is dominant.The non-spherical and spherical DH potentials are adopted for considering the screening effect on the CB interaction.It is found that the spherical DH potential could significantly overestimate the influence of plasma screening on EIE cross sections for multielectron He-like ions.
