The universal scaling behavior for the electron-impact excitation cross sections of the $2s$ states of hydrogen- and helium-like multicharged ions is deduced. The study is performed within the framework of non-relativistic perturbation theory, taking into account the one-photon exchange diagrams. Special emphasis is laid on the near-threshold energy domain. The parametrical relationship between the cross sections for excitation of multicharged ions with different number of electrons is established.
The spin-dependent localized Hartree-Fock (SLHF) density-functional approach is extended to the treatment of the inner-shell excited-state calculation of open-shell atomic systems. In this approach, the electron spin-orbitals in an electronic configuration are obtained by solving Kohn-Sham (KS) equation with SLHF exchange potential and the Slater's diagonal sum rule is used to evaluate the multiplet energy of an inner-shell excited state from the single-Slater-determinant energies of the electronic configurations involved. This approach together with the correlation potentials and energy funct…
We performed an overview of the inner shell excitation phenomena in the study of electron recombination with multiply charged complex ions such as Au$^{q+}$ (q=49-52) and Pb$^{53+}$. It is found the the inner shell excitations play a significant role in the low energy electron recombination. Taking into account these inner shell excitations we have calculated the energy avaraged capture cross sections. The dielectronic rate coefficients are found to be in good agreement with the experiment. We show that the contribution from the inner-shell enhances the recombinmation rate by an order of magit…
An ab initio QED approach to treat a valence-hole excitation in closed shell systems is developed in the framework of the two-time-Green function method. The derivation considers a redefinition of the vacuum state and its excitation as a valence-hole pair. The proper two-time Green function, whose spectral representation confirms the poles at valence-hole excitation energies is proposed. An contour integral formula which connects the energy corrections and the Green function is also presented. First-order corrections to the valence-hole excitation energy involving self-energy, vacuum polarizat…
The contribution to electron-impact ionization cross sections from excitations to high-nl shells and a consequent autoionization is investigated. We perform relativistic subconfiguration-average and detailed level-to-level calculations for this process. Ionization cross sections for the W27+ ion are presented to illustrate the large influence of the high shells (n >= 9) and orbitals (l >= 4) in the excitation-autoionization process. The obtained results show that the excitations to the high shells (n >= 9) increase cross sections of the indirect ionization process by a factor of 2 compared to …
Experimental cross sections for $m$-fold photodetachment ($m=3-6$) of silicon anions via $K$-shell excitation and ionization were measured in the photon-energy range of 1830-1900 eV using the photon-ion merged-beams technique at a synchrotron light source. All cross sections exhibit a threshold behavior that is masked by pre-threshold resonances associated with the excitation of a $1s$ electron to higher, either partly occupied or unoccupied atomic subshells. Results from multi-configuration Dirac-Fock (MCDF) calculations agree with the experimentally derived cross sections for photo-absorptio…
We present a spin-dependent localized Hartree-Fock (SLHF) density-functional approach for the treatment of the inner-shell excited-state calculation of atomic systems. In this approach, the electron spin-orbitals in an electronic configuration are obtained first by solving Kohn-Sham (KS) equation with SLHF exchange potential. Then a single-Slater-determinant energy of the electronic configuration is calculated by using these electron spin-orbitals. Finally, a multiplet energy of an inner-shell excited state is evaluated from the single-Slater-determinant energies of the electronic configuratio…
Extreme ultraviolet (XUV) attosecond pulses, generated by a process known as laser-induced electron recollision, are a key ingredient for attosecond metrology, providing a tool to precisely initiate and probe sub-femtosecond dynamics in the microcosms of atoms, molecules and solids[1]. However, with the current technology, extending attosecond metrology to scrutinize the dynamics of the inner-shell electrons is a challenge, that is because of the lower efficiency in generating the required soft x-ray \hbarω>300 eV attosecond bursts and the lower absorption cross-sections in this spectral range…
The dependency on the excitation energy of ultrafast multi-photon ionization of xenon by intense, short extreme ultraviolet pulses (XUV) was investigated in the vicinity of the 4$d$ 'giant' resonance using ion time-of-flight spectroscopy. The yields of the high charge states of xenon show strong variations with the excitation energy. With reference to simulated absorption spectra, we can link the photon energy dependency to resonance structures of single-electron excitations mainly in the xenon N-shell and purely sequential multi-photon absorption.
We have measured the alignment of the L-shell magnetic-substates following the K-shell excitation of hydrogen- and helium-like uranium in relativistic collisions with a low-Z gaseous target. Within this experiment the population distribution for the L-shell magnetic sublevels has been obtained via an angular differential study of the decay photons associated with the subsequent de-excitation process. The results show a very distinctive behavior for the H- and He-like heavy systems. In particular for $K \rightarrow L$ excitation of He-like uranium, a considerable alignment of the L-shell levels…
Experimental cross sections for m-fold photodetachment (m=2-5) of oxygen anions via K-shell excitation and ionization were measured in the photon-energy range of 525-1500 eV using the photon-ion merged-beams technique at a synchrotron light source. The measured cross sections exhibit clear signatures of direct double detachment, including double K-hole creation. The shapes of the double-detachment cross sections as a function of photon energy are in accord with Pattard's [J. Phys. B 35, L207 (2002)] empirical scaling law. We have also followed the complex deexcitation cascades that evolve subs…
The Auger effect from inner shells, which arises from resonance excitation of the valence electron of an atom by a weak electromagnetic wave, is discussed.
A detailed theoretical analysis of the 1s photoionization of neon is presented. It is found that the most significant many-electron correlation in computing photoionization of inner shells is the rearrangement of the outer shells caused by the inner vacancy. Further noticeable effects are: (i) the polarization of the ion core by the outgoing photoelectron and (ii) the coherent effect of double excitation/ionization. The core polarization increases the photoionization cross section by about 10% at the 1s threshold, and the coherent excitation results in further increases by about 5%. Incoherent…
We have investigated the universal scaling behavior of differential cross sections for the single K-shell ionization by electron or positron impact. The study is performed within the framework of non-relativistic perturbation theory, taking into account the one-photon exchange diagrams. In the case of low-energy positron scattering, the doubly differential cross section exhibits prominent interference oscillations. The results obtained are valid for arbitrary atomic targets with moderate values of nuclear charge number Z.
Tables of ab-initio total cross sections, probabilities at zero impact parameter, and impact parameter moments are presented concerning the ionization of Ne, Ar, Kr, and Xe by proton impact in the energy range (0.1-10) MeV. Calculations correspond to the continuum distorted wave eikonal initial state approximation (CDW-EIS) for energies up to 1MeV, and to the first Born approximation for larger energies. Results displayed in the tables are disaggregated for the different initial bound states, considering all shells for Ne and Ar, L-M-N shells of Kr and M-N-O shells of Xe. Our inner-shell ioniz…
The interplay of x-ray ionization and atomic and nuclear degrees of freedom is investigated theoretically in the process of laser-assisted nuclear excitation by electron capture. In the resonant process of nuclear excitation by electron capture, an incident electron recombines into a vacancy in the atomic shell with simultaneous nuclear excitation. Here we investigate the specific scenario in which the free electron and the required atomic shell hole are generated by an x-ray free electron laser pulse. We develop a theoretical description based on the Feshbach projection operator formalism and…
Inner-shell vacancy production for the O$^{8+}$-Li collision system at 1.5 MeV/amu is studied theoretically. The theory combines single-electron amplitudes for each electron in the system to extract multielectron information about the collision process. Doubly-differential cross sections obtained in this way are then compared with the recent experimental data by LaForge et al. [J. Phys. B 46, 031001 (2013)] yielding good resemblance, especially for low outgoing electron energy. A careful analysis of the processes that contribute to inner-shell vacancy production shows that the improvement of t…
We present spectroscopic measurements and detailed theoretical analysis of inner-shell LMn and LNn (n $\geq$ 4) dielectronic resonances in highly-charged M-shell ions of tungsten. The x-ray emission from W$^{49+}$ through W$^{64+}$ was recorded at the electron beam ion trap (EBIT) facility at the National Institute of Standards and Technology (NIST) with a high-purity Ge detector for electron beam energies between 6.8 keV and 10.8 keV. The measured spectra clearly show the presence of strong resonance features as well as direct excitation spectral lines. The analysis of the recorded spectra wi…
The decay of inner-shell vacancy in an atom through radiative and non-radiative transitions leads to final charged ions. The de-excitation decay of 3s, 3p and 3d vacancies in Kr atoms are calculated using Monte-Carlo simulation method. The vacancy cascade pathway resulted from the de-excitation decay of deep core hole in 3s subshell in Kr atoms is discussed. The generation of spectator vacancies during the vacancy cascade development gives rise to Auger satellite spectra. The last transitions of the de-excitation decay of 3s, 3p and 3d holes lead to specific charged ions. Dirac-Fock-Slater wav…
We have studied the role of virtual excitations of inner shells upon outer shell photoionization. The calculations were performed in the frames of the Random Phase Approximation and its generalized version GRPAE that take into account variation of the atomic field due to electron elimination and the inner vacancies decay. We employ both analytic approximation and numeric computations. The results are presented for 3p electrons in Ar and 4d-electrons in Pd near inner shells thresholds. The effect proved to be noticeable.
Total ionization cross sections of H, He, Li, Be, B, C, N, O, F, Ne, P, S and Ar neutral atoms by impact of antiprotons, H^{+}, He^{2+}, Be^{4+}, % C^{6+} and O^{8+}. were calculated using the CDWEIS (continuum distorted wave -Eikonal Initial state) theoretical method. Cross section depending on of initial the quantum numbers n and l are reported in Tables for a range of impact energies covering from 100 keV/amu to 10 MeV/amu
A one parameter expression for the single ionization cross-section of atoms by electron impact is presented. Using this expression, the agreement obtained with available experimental data for 45 elements (from ionization threshold up to 200 eV ionizing electron energy) is shown to be comparable with (or better than) that achieved using other multi-parameter approaches. We suggest that the single parameter used here is associated with the effective reduction in the number of equivalent electrons within a given shell accessible for ionization by electron impact. We attribute this reduction effec…
We report measurements of electron-impact excitation cross sections for the strong K-shell n=2-1 transitions in S XV using the LLNL EBIT-I electron beam ion trap, two crystal spectrometers, and the EBIT Calorimeter Spectrometer. The cross sections are determined by direct normalization to the well known cross sections of radiative electron capture, measured simultaneously. Using contemporaneous polarization measurements with the two crystal spectrometers, whose dispersion planes are oriented parallel and perpendicular to the electron beam direction, the polarization of the direct excitation li…
We consider excitation of highly charged hydrogen-like ions by the impact of equivelocity electrons and protons. The kinetic energy of the protons is more than three orders of magnitude larger than that of the equivelocity electrons. It is shown, however, that despite this fact, the electrons can be much more effective in inducing excitation at collision velocities (slightly) above the threshold for electron impact excitation. The basic reason for this is the strong distortion of the motion of the electron by the attractive field of the nucleus of the highly charged ion.
Dielectronic and higher-order resonant electron recombination processes including a K-shell excitation were systematically measured at high resolution in electron beam ion traps. Storing highly charged Ar, Fe, and Kr ions, the dependence on atomic number Z of the contribution of these processes to the total recombination cross section was studied and compared with theoretical calculations. Large higher-order resonant recombination contributions are found, especially for systems with 10<Z<36. In some cases, they even surpass the strength of the dielectronic channel, which was hitherto presumed …
The resonant process of nuclear excitation by electron transition (NEET) in highly charged ions is investigated. In NEET, a bound electronic decay transition occurs with the simultaneous excitation of the nucleus, provided that the energies of the atomic and nuclear transition match. By varying the atomic charge state, the atomic transition energy can be tuned to a better match of the nuclear transition energy. We propose a new way to create the atomic hole in highly charged ions by dielectronic capture of a free electron. In order to derive the cross section for the three-step process compose…
A new expression for the total K-shell ionization cross section by electron impact based on the relativistic extension of the binary encounter Bethe (RBEB) model, valid from ionization threshold up to relativistic energies, is proposed. The new MRBEB expression is used to calculate the K-shell ionization cross sections by electron impact for the selenium atom. Comparison with all, to our knowledge, available experimental data shows good agreement.
We present a detailed formalism for the description of collective electron excitations in fullerenes in the process of the electron inelastic scattering. Considering the system as a spherical shell of a finite width, we show that the differential cross section is defined by three plasmon excitations, namely two coupled modes of the surface plasmon and the volume plasmon. The interplay of the three plasmons appears due to the electron diffraction of the fullerene shell. Plasmon modes of different angular momenta provide dominating contributions to the differential cross section depending on the…
We present a finite-temperature density functional theory investigation of the nonequilibrium transient electronic structure of warm dense Li, Al, Cu, and Au created by laser excitation. Photons excite electrons either from the inner shell orbitals or from the valence bands according to the photon energy, and give rise to isochoric heating of the sample. Localized states related to the 3d orbital are observed for Cu when the hole lies in the inner shell 3s orbital. The electrical conductivity for these materials at nonequilibrium states is calculated using the Kubo-Greenwood formula. The chang…
Understanding inner-shell excitations in molecules through spectroscopy of the 4f hole states of YbF
Center for Cold Matter, Blackett Laboratory, Imperial College London（帝国理工学院冷物质中心布莱克特实验室）；Fritz-Haber-Institut der Max-Planck-Gesellschaft（马克斯·普朗克学会弗里茨·哈伯研究所）
Low-energy electron impact excitations of S_2 molecules are studied using the fixed-bond R-matrix method based on state-averaged complete active space SCF orbitals. Integral cross sections are calculated for elastic electron collision as well as impact excitation of the 7 lowest excited electronic states. Also, differential cross sections are obtained for elastic collision and excitation of the a^1 Delta_g, b^1 Sigma_g^+ and B^3 Sigma_u^- states. The integrated cross section of optically allowed excitation of the B^3 Sigma_u^- state agrees reasonably well with the available theoretical result.
The optical emission spectrum of acetylene excited by monoenergetic electrons was studied in the range of 190 nm to 660 nm. The dissociative excitation and dissociative ionization associated with excitation of the ions initiated by electron impact were dominant processes contributing to the spectrum. The spectrum was dominated by the atomic lines H, C and molecular bands of CH, CH, CH+, and C2. Besides the discrete transitions, we have detected the continuum emission radiation of ethynyl radical C2H. For most important lines and bands of the spectrum we have measured absolute excitation-emissi…
The absolute L subshell specific electron impact ionization cross sections near the ionization threshold (16 < E < 45 keV) of Lead and Thorium are obtained from the measured L X-ray production cross sections. Monte Carlo simulation is done to account for the effect of the backscattered electrons and the final experimental results are compared with calculations performed using distorted wave Born approximation and the modified relativistic binary encounter Bethe model.The sensitivity of the results on the atomic parameters is explored. Observed agreements and discrepancies between the experimen…
