This paper investigates the stereodynamics of the reaction He+HD+ by the quasi-classical trajectory(QCT) method using the most accurate AQUILANTI surface [Aquilanti et al 2000 Mol.Phys.98 1835].The distribution P(φr) of dihedral angle and the distribution P(θr) of angle between k and j have been presented at three different collision energies.Four generalized polarization-dependent differential cross-sections(2π/σ)(dσ00/dωt),(2π/σ)(dσ20/dωt),(2π/σ)(dσ22+/dωt),(2π/σ)(dσ21 /dωt) are also calculated.Some interesting results are obtained from the comparison of the stereodynamics of the title reaction at different collision energies.
A Nd:YAG pulsed laser is used to ablate HgCdTe target at different ambient pressures, the emission spectrum is detected by a time- and space-resolved diagnostic technique. It is found that the characteristics of time-resolved emission spectra are influenced by the pressure of background gas. A theoretical model is developed to investigate expansion mechanism of plasma, the time evolution of the propagation distances and the velocities of plasma plume are calculated by the model at pressures of 1.01×105, 1000, and 5 Pa, respectively. The calculated results are well consistent with the experimental data.
The four-dimensional time-dependent quantum dynamics calculations for reactions of group IV hydride with H are carried out by employing the semirigid vibrating rotor target model and the time-dependent wave packet method. The reaction possibility, cross section and rate constants for reactions (H+SiH_4 and H+GeH_4) in different initial vibrational and rotational states are obtained. The common feature for such kind of reaction process is summarized. The theoretical result is consistent with available measurement, which indicates the credibility of this theory and the potential energy surface.
