Orbital Relaxation Effects in the Calculation of Aluminum Kα Absorptions

A recent experimental Kα transmission spectrum of an Muminum plasma is theoretically studied by a detailed level accounting model. It is found that the orbital relaxation effects of the K- and L-shell orbitals should be considered to calculate accurate line positions and strengths. To do this the initial and the final radial wave functions of Kα lines are respectively optimized by solving the full relativistic Dirac-Fock equation. Extensive configuration interaction calculations are performed to obtain the energy levels and the oscillator strengths. It is shown that both the line positions and the line strengths agree quite well with experiment when the orbital relaxations are considered.     

A Pseudo Detailed Term Accounting Method for Radiative Opacity of Laser—Produced Plasmas

A statistical method is introduced to deal with the two-electron energies of a configuration in the detailed term accounting (DTA) approximation for the spectral line absorption in the radiative opacity of laser-produced plasmas in local thermodynamics equilibrium.The relativistic Hartree-Fock-Slater self-consistent field average atom model is used to select the reference ion with most probability and providing basically atomic data.In this way,fully frequency-dependent and spectral resolved opacity for heavy elements can be obtained readily for the primary design of radiation transfer in the inertial confinement fusion simulation.Opacities of Au plasmas are given.     

Evolution of Photocurrent during Coadsorption of Cs and O on GaAs （100）

The photocurrent and spectral response characteristics of gallium arsenide （GaAs） are obtained by a multiinformation measurement system, and the evolution of the photocurrent versus the Cs：O flux ratio is investigated. The experimental results show that the photocurrent increases approximately exponentially after the first exposure to Cs until a maximum sensitivity is reached, the detailed evolution process and the ultimate photocurrent are different for different samples. These differences are analysed, and according to the process of coadsorption of Cs and oxygen on GaAs, an equation is presented to explain the increase of photocurrent.     

Photoionization of Ge^13＋ in the Inner-Shell 2p Excitation Energy Region

The photoionization cross sections of the levels belonging to the ground configuration [Ne]3s^2 3p^6 3d of Ge^13＋ are investigated using the fully relativistic R-matrix method in the 2p - 3d excitation region. The photoionization cross section is dominated by 2p - 3d resonances. The detailed resonance structures are described and analysed with the resonance positions, widths and oscillator strengths to be determined. Good agreement is obtained between the length and velocity forms of the resonance oscillator strengths. The relative difference is less than 8%.     

Relative Distribution of Au48 ～ Au52 in Au Plasma by Ionization Dynamics

The present work proposes a theoretical method called ionization dynamics to derive the ionic charge state distribution. Using relativistic quantum mechanics to calculate the energy level lifetime and average ionic lifetime of each ion, the first-order ionization rate constant can be obtained. Based on these data, from the solution of differential equations for consecutive-irreversible ionization reactions, one will be able to derive the ionic charge state distribution.The calculated average positive charge 49.24 of Au48 ～ Au52 and their relative distribution are in good agreement with the results of Lawrence Livermore National Laboratory.     

Relative Distribution of Au^48＋～Au^52＋ in Au Plasma by Ionization Dynamics

The present work proposes a theoretical method called ionization dynamics to derive the ionic charge state distribution. Using relativistic quantum mechanics to calculate the energy level lifetime and average ionic lifetime of each ion, the first-order ionization rate constant can be obtained. Based on these data, from the solution of differential equations for consecutive-irreversible ionization reactions, one will be able to derive the ionic charge state distribution.The calculated average positive charge 49.24 of Au^48 ～ Au^52 and their relative distribution are in good agreement with the results of Lawrence Livermore National Laboratory.     

Electron-impact ionization cross section calculations for lithium-like ions

The electron-impact ionization of lithium-like ions C³⁺,N⁴⁺,O⁵⁺,Ne⁷⁺,and Fe2³⁺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.     

Open M-shell Opacity of Bromine Plasma in Comparison of the Detailed Level Accounting Model with the Average Atom Model

The open M-shell opacity of a hot bromine plasma has been calculated by using a detailed level accounting （DLA） model. One-electron orbitals obtained by solving the fully relativistic Dirac-Fock equations are used to obtain the atomic levels and the radiative transition oscillator strengths. Only the level mixing within the same electron configuration is considered to reduce the complexity of the calculations. Detailed comparisons have been made between the results of the DLA and average atom （AA） models. Good agreements are found for both the M-shell transition arrays and the Planck mean opacity but there are differences for the line positions in the 2p → 3d absorption region due to the statistical treatment for the one-electron orbitals in the AA model.     

Energy Levels of Highly Ionized Ar ⅩⅣ

With the Breit interaction and quantum electrodynamics corrections considered, relativistic configuration interaction calculations have been carried out in the extended optimal level scheme using multi-configuration Dirac-Fock wave functions on the 204 energy levels and electric dipole transitions of Ar ⅩⅣ. The results of electric dipole transitions are in good agreement with experiments. Among the energy levels calculated, the lowest 125 levels are in good agreement with available experimental and other theoretical ones, and the other 79 levels are new ones obtained by the present work. This wide range of atomic energy levels is useful in astrophysics and plasma physics.     

Isovector Giant Dipole Resonance of Stable Nuclei in a Consistent Relativistic Random-phase Approximation

A fully consistent relativistic random-phase approximation is applied to study the systematic behaviour of the isovector giant dipole resonance of nuclei along the β-stability line in order to test the effective Lagrangians recently developed. The centroid energies of response functions of the isovector giant dipole resonance for stable nuclei are compared with the corresponding experimental data and the good agreement is obtained. It is found that the effective Lagrangian with an appropriate nuclear symmetry energy, which can well describe the ground state properties of nuclei, could also reproduce the isovector giant dipole resonance of nuclei along the β-stability line.     

Study of the energy response of high pressure ionization chamber for high energy gamma-ray

The energy response calibration of the commonly used high pressure ionization chamber is very difficult to obtain when the gamma-ray energy is more than 3 MeV. In order to get the calibration of the higher part of the high pressure ionization chamber, we use the Fluka Monte Carlo program to perform the energy response in both the spherical and the cylindrical high pressure ionization chamber which are full of argon gas. The results compared with prior study when the gamma-ray energy is less than 1.25 MeV. Our result of Monte Carlo calculation shows agreement with those obtained by measurement within the uncertainty of the respective methods. The calculation of this study is significant for the high pressure ionization chamber to measure the high energy gamma-ray.     

Ab initio investigation of sulfur monofluoride and its singly charged cation and anion in their ground electronic state

The SF radical and its singly charged cation and anion, SF+and SF-, have been investigated on the MRCI/aug-ccp VX Z(X = Q, 5, 6) levels of theory with Davidson correction. Both the core–valence correlation and the relativistic effect are considered. The extrapolating to the complete basis set(CBS) limit is adopted to remove the basis set truncation error.Geometrical parameters, potential energy curves(PECs), vibrational energy levels, spectroscopic constants, ionization potentials, and electron affinities of the ground electronic state for all these species are obtained. The information with respect to molecular characteristics of the SFn(n =-1, 0, +1) systems derived in this work will help to extend our knowledge and to guide further experimental or theoretical researches.     

Accurate all-electron calculation on the vibrational and rotational spectra of ground states for O_2 and its ions

The potential energy curves, spectroscopic constants, and low-lying vibration–rotation levels of ground-state O_2 and its cation O_2~+ and anion O_2~- were calculated with the explicitly correlated multireference configuration interaction method.The zeroth-order reference wavefunction was treated with the complete active space multiconfigurational self-consistent field method, in which the active space was carefully selected, and an additional molecular orbital πu was added into the full valence active space.The electron correlation of the 1s core in the oxygen atom was considered in the computations.The Davidson correction on molecular energy was considered to account for higher electron excitation.The relativistic effects, including the scalar relativistic effect and spin–orbit coupling, were considered in the computation of potential energy curves.These physical effects on the spectroscopic constants were examined.The low-lying levels of vibration–rotation spectra of O2 and its ions were determined based on the computed potential energy curves.Comparisons with available experiments were made and excellent agreement was obtained for the vibrational and rotational parameters.The spectroscopic constants and vibration–rotation spectrum of O_2~-, which is sparse in experiments, were provided.Our study will shed some light on further theoretical and experimental studies on these simple but important molecular systems.     

Stark-Broadened Profiles of the Spectral Line P_α in He Ⅱ Ions

We report a systematic method to perform calculations of spectral line broadening parameters in plasmas.This method is applied to calculate Stark-broadening line profiles of Pα(n=4→n = 3) transitions under certain specific plasma conditions,by treating this case as an example.In the framework of the fully relativistic Dirac Rmatrix theory,we calculate the electron-impact broadening operators,which are assumed to be diagonal matrix to simplify the situation.The electric microfield distribution function is calculated by retaining Hooper's formalism.The dipole matrix elements and atomic structure parameters used in these calculations have been obtained from atomic structure GRASP code.Based on this required data,we calculate the Stark-broadened line profiles of the Paschen spectral lines in He Ⅱ ions in a systematic manner.Overall,there is a very good agreement between our calculated Stark-broadened line profiles and other line broadening numerical simulation codes(SimU and MELS).Our reported spectral line-broadening data have real applications in plasma spectroscopy,plasma diagnosis and aiso piay a fundamentai role in plasma modeling.     

Multi-reference configuration-interaction calculations on multiply charged ions of carbon monosulfide

The potential energy curves for neutrals and multiply charged ions of carbon monosulfide are computed with highly correlated multi-reference configuration interaction wavefunctions.The correlations of inner-shell electrons with the scalar relativistic effects are included in the present computations.The spectroscopic constants,dissociation energies,ionization energies for ground and low-lying excited states together with corresponding electronic configurations of ions are obtained,and a good agreement between the present work and existing experiments is found.No theoretical evidence is found for the adiabatically stable CSq+(q>2) ions according to the present ab initio calculations.The calculated values for 1st-6th ionization energies are 11.25,32.66,64.82,106.25,159.75,and 224.64 eV,respectively.The kinetic energy release data of fragments are provided by the present work for further experimental comparisons.     

Importance of Relativistic Effects for Intermediate-Z Elements： Photoionization Process of Excited Na

Using a modified R-matrix code, the fine-structure-resolved partial photoionization cross sections of excited Na （Z = 11） are calculated within the Breit-Pauli approximation. Our calculated energy levels of Na＋ and Na are in good agreement with the experimental values within 1% and the branching ratios of the J-resolved partial cross sections are consistent with the recent measurements within the experimental uncertainties. The agreements are impossible to be obtained without adequately taking into account the relativistic effects and the electron correlations together. Therefore, even for the intermediate-Z elements （e.g. Na with Z = 11）, the relativistic effects （mainly the spin-orbit interactions） should not be neglected.     

Terahertz wave generation in coupled quantum dots

Based on coupled quantum dots,we present an interesting optical effect in a four-level loop coupled system.Both the two upper levels and the two lower levels are designed to be almost degenerate,which induces a considerable dipole moment.The terahertz wave is obtained from the low-frequency component of the photon emission spectrum.The frequency of the terahertz wave can be controlled by tuning the energy levels via designing the nanostructure appropriately or tuning the driving laser field.A terahertz wave with adjustable frequency and considerable intensity(100 times higher than that of the Rayleigh line) can be obtained.It provides an effective scheme for a terahertz source.     

Molecular opacities of low-lying states of oxygen molecule

The X~3∑_g~-,A'~3△_u,A~3∑_u~+,1~3Π_g,and B~3∑_u~-electronic states of oxygen molecule(O_2) are calculated by the multiconfiguration self-consisted filed(MRCI)+Q method with the scalar relativistic correction and core-valence correlation correction.The obtained spectroscopic constants of the low-lying bound states are in excellent agreement with measurements.Based on the accurately calculated structure parameters,the opacities of the oxygen molecule at the temperatures of 1000 K,2000 K,2500 K,and 5000 K under a pressure of 100 atm(1 atm=1.01325×10~5 Pa) and the partition functions between 10 K and 104 K are obtained.It is found that with the increase of temperature,the opacities for transitions in a long wavelength range are enlarged because of the larger population on excited electronic states at the higher temperatures.     

Detection of the X-ray spectra of imploding neon Z-pinch with elliptically bent mica crystal spectrometer

A wide variety of X-ray and extreme ultraviolet diagnostics are being developed to study on Yang acceler- ator.An elliptically bent crystal spectrometer is designed with a focal length of 1350 mm.A mica crystal with an interplanar spacing of 1.984 nm bent onto an elliptical substrate with eccentricity of 0.9485 is used.The crystal analyzer covers the Bragg angle range from 30°to 60°.The mica crystal can efficiently reflect radiation in multiple orders,covering the entire spectral range from 0.1 to 1.73 nm except for a gap from 0.86 to 1.0 nm.The application experiment is performed on Yang accelerator using the bent mica crystal analyzer.Spectra of neon-puff Z-pinch plasmas are recorded with a X-ray film,showing the H-like and the He-like lines of neon.Each spectrum has been identified and used for the wavelength calibration, and most of the line radiation is contained in the He-αand the L-αlines.The experimental results have demonstrated that the spectral resolution approximates 379.     

Elastic scattering based on energy-dependent relativistic Love-Franey model at energies between 20 and 800 MeV

In order to investigate the elastic scattering,we fit scattering observables of the weighted fits (WF16)with the relativistic Love-Franey (RLF) model.The masses,cutoff parameters,and initial coupling strengths of RLF are assumed to be independent of energy.Because the energy boundary between low energy and high energy is around 200 Me V,the masses,cutoff parameters,and initial coupling strengths of RLF are obtained by fitting scattering observables of WF16 at an incident energy of 200 MeV.With t...