The electronic structures of PF and PF＋ are calculated with the high-level configuration interaction method. To improve the precision of calculations, the spin-orbit coupling effect, the scalar relativistic effect, a...The electronic structures of PF and PF＋ are calculated with the high-level configuration interaction method. To improve the precision of calculations, the spin-orbit coupling effect, the scalar relativistic effect, and the Davidson correction（q-Q） are also considered. The spectroscopic parameters of bound states are derived by the electronic structures of PF and PF＋, which are in good accordance with the measurements. The transition dipole moments of spin-allowed transitions are evaluated, and the radiative lifetimes of several A S states of PF and PF＋ are obtained.展开更多
The reac dynamics on Ba+BrCH_3→BaBr+CH_3 has been investigated in the first proposed potential energy surface of the generalized LEPS type,using the quasiclassical trajectory method.In simulation of the conditions in...The reac dynamics on Ba+BrCH_3→BaBr+CH_3 has been investigated in the first proposed potential energy surface of the generalized LEPS type,using the quasiclassical trajectory method.In simulation of the conditions in molecular beam experiments,the results of the present study show significant effect of the reagent collision energy on the dynamics of the reaction,and are in good agreement with the experimental ones.展开更多
This paper studies the wall-bounded flow around a cylindrical at a high Reynolds numbers body in a determined computational domain, with simulations of the 3-D, turbulent concentric annulus flow in a straight pipe. Nu...This paper studies the wall-bounded flow around a cylindrical at a high Reynolds numbers body in a determined computational domain, with simulations of the 3-D, turbulent concentric annulus flow in a straight pipe. Numerical results show that a reversing zone, appearing as a tongue zone with nested velocities higher than the surrounding area, exists behind the cylindrical body. The annulus space is a region of high velocity and low pressure. The zero velocity, of combined the X- velocity and the Y- velocity, exists in the cross sections and no vortex shedding is formed behind the attaching cylinders. Among all investigated effecting factors, the diameters of the attaching and the main cylinders affect the wake feature behind the cylindrical body while the main cylinder length does not affect the distribution tendency of the flow field. The diameters of the main cylinder and the pipe affect the pressure values and the distribution tendencies on the main cylinder surface. Obviously, the increase of the pipe diameter reduces the drag coefficient of the cylindrical body and the increase of the diameter of the main cylinder increases the drag coefficient greatly. The numerical investigation of the concentric annulus flow provides foundations for further improvements of the intricate flow studies.展开更多
基金Supported by the National Natural Science Foundation of China under Grant No 11404180the Natural Science Foundation of Heilongjiang Province under Grant Nos F201335,A2015010,and A2015011the Postdoctoral Scientific Research Developmental Fund of Heilongjiang Province under Grant No LBH-Q14159
文摘The electronic structures of PF and PF＋ are calculated with the high-level configuration interaction method. To improve the precision of calculations, the spin-orbit coupling effect, the scalar relativistic effect, and the Davidson correction（q-Q） are also considered. The spectroscopic parameters of bound states are derived by the electronic structures of PF and PF＋, which are in good accordance with the measurements. The transition dipole moments of spin-allowed transitions are evaluated, and the radiative lifetimes of several A S states of PF and PF＋ are obtained.
文摘The reac dynamics on Ba+BrCH_3→BaBr+CH_3 has been investigated in the first proposed potential energy surface of the generalized LEPS type,using the quasiclassical trajectory method.In simulation of the conditions in molecular beam experiments,the results of the present study show significant effect of the reagent collision energy on the dynamics of the reaction,and are in good agreement with the experimental ones.
基金Project supported by the National Natural Science Foundation of China(Grant Nos.51179116,51109155)
文摘This paper studies the wall-bounded flow around a cylindrical at a high Reynolds numbers body in a determined computational domain, with simulations of the 3-D, turbulent concentric annulus flow in a straight pipe. Numerical results show that a reversing zone, appearing as a tongue zone with nested velocities higher than the surrounding area, exists behind the cylindrical body. The annulus space is a region of high velocity and low pressure. The zero velocity, of combined the X- velocity and the Y- velocity, exists in the cross sections and no vortex shedding is formed behind the attaching cylinders. Among all investigated effecting factors, the diameters of the attaching and the main cylinders affect the wake feature behind the cylindrical body while the main cylinder length does not affect the distribution tendency of the flow field. The diameters of the main cylinder and the pipe affect the pressure values and the distribution tendencies on the main cylinder surface. Obviously, the increase of the pipe diameter reduces the drag coefficient of the cylindrical body and the increase of the diameter of the main cylinder increases the drag coefficient greatly. The numerical investigation of the concentric annulus flow provides foundations for further improvements of the intricate flow studies.
