Under the frame of time-dependent density functional theory( TDDFT) and molecular dynamics,we studied microscopic electronic-ionic association dynamics in collision between hydroxyl and proton which moves toward molecular axis of hydroxyl with 15 eV initial kinetic energy. Energies of projectile and target,electron and vibration excitations of target and real time distribution of electron density are identified. It is found that proton captures electrons of hydroxyl in collision and it rebounds from the target with loss of 26.7% of initial kinetic energy. While the kinetic energy of hydroxyl increases and hydroxyl moves toward to numerical boundary accompanied with stretch oscillation. Hydroxyl loses 1% electrons and exists as neutral and ＋1 valence forms with 93% and 7%probabilities respectively.

With time-dependent density functional theory and molecular dynamics excitations of linear and rhombic C₄ in intense laser field are explored.It is found that electrons of 1incar C₄ obtain mote enelrgy while ions of rhombic C₄ get more from the 1aser filed. Ionization is enhanced as C₄ owns 8 linear structure. As laser polarization is along the x axis there is only D_x excitation of a linear C₄ while dipole oscillations of a rhombic C₄ in x and y directions are excited.

A rotating black hole is supposed to lie in a standard acc.retion disk.Imaging of the black hole shadow in an accretion disk are drawn as accretion disk inner boundary is equal to the last stable orbit.With qualitative and quantitative analysis of shape and position of a black hole,it is found that the size and shape of a black hole shadow for black holes with same mass are relevant to black hole spin.Shape and position of n rotating black hole shadow are asymmetrical relative to its rotating axis.The center of mass and rotation parameters of a black hole are determinated with position between rotating axis and black hole shadow.

With an improved Numerov algorithm, continuum state wave functions and its normalization are investigated. Cowan' s normalization is discussed and a more precise and effective calculation is offered. We calculate the Thomas-Reiche-Kuhn(TRK) sum of several hydrogen atomic states (l=0~3). The least-squared method is used to generate infinite asymptotical forms of TRK. The residues are approximately calculated with an integral processing.

Using symbolic capabilities of MATHEMATICA software,a package(VCE 1.0) is developed to use for variational cumulant expansion study in lattice models with neiboring interaction.Enumerating high order connected diagrams and analytical expansions of free energy and so on can be obtained by this package.This package can also be used to study some models of lattice gauge theory and statistical physics.