Energy levels and oscillator strengths of Si¹¹⁺ are computed by using CI code CIV3.In the calculation all configuration interactions are taken into account for the various configurations formed by keeping one electron on 1s orbital and populating the two other electrons on the rest orbitals.It is shown that the oscillator strengths computed in such a way are much improved.

By using Coulomb-Born-exchange approximation and Zscaled hydrogenic approximation the excitation cross sections and rate coefficients between fine-structure levels of Mn²²⁺ in water window are calculated.In order to take the correlation effects and relativistic effects into account more effectively, the effective nuclear charges are modified in the computation.

A computational code JLULP1 of plasma produced by laser irradiating rectangular target written by us is reported. By using this code, the spatial distrubutional and time-dependent properties of plasma produced by laser irradiating rectangular Sitarget, and the relations of plasma properties with shapes of target have been investigated for the first time. Comparison with the plasma produced by cylindrical target shows that the plasma produced by rectangular target favours three-body recombination.

The potential energy curves between methyl and diamond (Ⅲ) surface are calculated by Ami semi-empirical molecular orbital method, which are found to be in close agreement with the substrate models. It provides much information for studying the dynamic processes of the nucleation and growth of diamond films, and more general adsorption as well.

The program for Computing electron impact ionization has been written in Coulomb-Born approximation using the program source ready in original R-matrix package,based on the R-matrix theory of electron impact ionization.

With regard to evaluation of auxiliary function I_μ(x)up to arbitrary accuracy, it is required that the forward recurrence scheme of the function can be used as far as possible. Applying a new inequality found by us, we have set up a criterion which can accurately decide whether the requirement can be met.

Two inequalities of incomplete Gamma function are given for the domain v∈[0,-∞) and z∈(-∞,0].Based upon the inequalities, we derive the round off error propagation regularity of the forward recurrence scheme. Our numerical experiments indicate that the relative error predicated by our regularity almost coincides with that from authentic regularity in the whole domain of v and z.

The formulae of two-electron integrals are optimized by using complex Slater orbitals. Analysing both the formula structure and the instability of auxiliary functions, we obtain some approximate conditions of realizing the best balance between the required accuracy and the computational speed.

The program for computing atomic electric dipole radiative transition probability has been written in Coulomb gauge and length gauge by using the program source ready in original MCDF package, based on the general theory of relativistic radiative transition, It has considered configuration interaction and orbital relaxation effects in the transitions.

In this paper, by using the relativistic multi-configuration Dirac-fock extended average level model, we calculate 113 levels of all the 2s²2p⁵、2s²2p⁴3l、2s2p⁵3l and 2p⁶3l configuration of lasing matter with the F-like type plasma,Ce,Gd, Lu, Th, U ions, which can produce coherent radiation feasibility of soft Xray, and results are prented for all allowed tranitory strong coherent radiation wavelength value from the singly excited M-subshell states to the tow-lying 2s²2p(²P_3/2,²P_1/2) configuration and 2s2p⁶(²S_1/2) configuration.

The fine-structure energies of 2P⁵31 and 2P⁵41 and transition wavelengths of 2P⁵31-4l¹ and 41-41¹ have been calculated with the MCDF computer code for Ne-like CaXI, and MnXVI ionswhich may be the candidates for lasing action in the extreme vacuum ultraviolet region.Calculated transition wavelengths for 31-41¹ are good agreed with observed wavelenths.41-41¹ possible transition wavelengths are predicted.