Atomic wave functions and transition characteristics for valence shell excitations;
原子的价壳层激发态波函数和跃迁特性
The Application of Algebraic Method to Intensities of Visible and Infrared Transition of C_6H_6;
C_6H_6可见光与红外跃迁强度的代数方法计算
The main transition forms were between second adjacent or second adjacent to first adjacent.
利用静态计算法,对CeO2电解质材料中氧空位迁移的最小势能轨迹进行了计算,发现氧离子在运动时,逐渐接近阳离子面心立方体的中心,但不通过中心,而是通过一个圆弧后跃迁到下一个空位位置。
Based on the extended relativistic multi-configuration Dirac-Fock theory,with quantum electro dynamical(QED) effect and Breit correction,the level lifetime,level widths,the transition wavelengths,transition probabilities and oscillator strengths of Au48+ were calculated with the general-purpose relativistic atomic structure program(GRASP2).
根据扩展的相对论多组态Dirac-Fock理论,采用"全相对论原子结构程序(GRASP2)",考虑重要核的有限体积效应、量子电动力学效应(QED)和Breit修正以及组态间的相互作用,计算类镓Au48+的能级寿命、能级宽度、跃迁波长、跃迁几率和振子强度。
Based on the extended relativistic multi-configuration Dirac-Fock theory,with quantum electrodynamical(QED) effect and Breit correction,transition wavelengths,transition probabilities and oscillator strengths of Au~(47+) and Au~(53+) have been calculated with the General-purpose Relativistic Atomic Structure Program(GRASP~2).
根据扩展的相对论多组态狄拉克福克(Dirac-Fock)理论,采用“多功能相对论原子结构程序(GRASP2)”,考虑量子电动力学(QED)效应和布雷特(Breit)修正,选用二参量费米有限核电荷分布和扩展平均能级模型,并考虑组态间的相互作用和电偶极跃迁,计算了类锗Au47+、类铁Au53+的跃迁波长,跃迁几率和振子强度,计算的波长与实验值符合较好。
Calculation of transitions wavelength, probability, oscillator and level lifetime of Au~(48+) in Au laser-produced plasma;
根据扩展的相对论多组态Dirac-Fock理论,采用"全相对论原子结构程序(GRASP2)",考虑重要核的有限体积效应、量子电动力学效应(QED)和Breit修正以及组态间的相互作用,计算类镓Au48+的能级寿命、能级宽度、跃迁波长、跃迁几率和振子强度。
With dx(x = 1-9) structure of the transition metal complexes are light,d track transitions,in d-d transitions.
具有dx(x=1至9)结构的过渡金属配合物受到光照时,d轨道跃迁,发生d-d跃迁。