【摘 要】
：
By using multi-configuration Dirac-Fock theory and active space approach,we calculate transition energy for 4s-4p of Cu-,Zn-,Ga-and Ge-like gold ions where
【机 构】
：
InstituteofAtomicandMolecularPhysics,SichuanUniversity,Chengdu610065,People'sRepublicofChinaInstitu
【出 处】
：
第五届全国计算原子与分子物理学术会议
论文部分内容阅读
By using multi-configuration Dirac-Fock theory and active space approach,we calculate transition energy for 4s-4p of Cu-,Zn-,Ga-and Ge-like gold ions where Breit,QED and nuclear-mass corrections have been considered.Our calculation considers valence-valence correlations,core-valence correlations and core-core correlations and gives the contribution of the three electron correlation effects on the transition energy.On the basis of previous work,most of earlier measurements and calculations focused on less electrons system of low-to medium-Z ions,the objective of this paper is to verify that core-valence correlation is more accurate than valence-valence and core-core correlation in multi-electron system of highly charged high-Z ions as well.
其他文献
By numerically solving the Maxwell-Bloch equations using an iterative predictor-corrector finite-difference time-domain(FDTD)technique [1],we investigate pr
The reactions of Cl,F and O atoms with methane recently have been the focus of experimental1-3 and theoretical4-8 investigations to study mode selective enhance
The charge-transfer processes at low collision energies have got significant attention because of their importance not only in basic atomic physic but also in v
Molecular dynamics simulations were applied to study the structural and transport properties,includingthe pair distribution function,the structure factor,the pa
We employ ab initio calculations with PBEsol method to carry out the properties of the adsorption of CO on Pd(100)under an external electric field.The adsor
本文报告了对等离子体中离子谱线的电子碰撞展宽和线移的相对论量子力学计算.具体地,首先利用相对论原子结构程序GRASP 计算出辐射体(靶离子)的原子结构参数,然后依据DACR 来
Topological insulators(TIs)are a new state of matter in which surface state embedded in the bulk energy gap is protected by time-reversal symmetry,so TIs ha
The nonlinear optical(NLO)studies of porphyrins(Cu,Zn,H2MHTP)and their covalently linked composites with graphene oxide(GO)have been studied by numerically
The molecular dynamics method combined with simulated annealing technique was performed to investigate the structures and size-dependent melting of gold nan
The Raman and absorption spectra of Ag2-PATP-Au2 junction adsorbed on graphene and B-doped graphene were investigated by using density functional theory(DFT)and