类锂离子(Z=9-15)2s和2p态的能级和精细结构

应用MCHF(multi-configuration Hartree Fock)+BP(Breit-Pauli)方法计算了类锂离子(Z=9-15)2s和2p态的精细结构、能级分裂以及相应的光谱跃迁的跃迁几率和gf值.对于F6+离子和Si11+离子,2p态精细结构分裂的计算值误差分别为0.15%和0.96%,2s-2p光谱跃迁的跃迁几率和振子强度的计算值与实验值基本吻合.     

原子结构计算的进展

1IntroductionThe error in a non-relativistic Hartree-Fock(HF)wavefunctionis due to correlationinthe motion of theelectrons.For this reason,the error in the energy is referred to as the correlation energy.For fewelectronsystems,this correlation can beinclu…     

Advances in Atomic Structure Calculations

Correlation and relativistic effects are both needed for accurate atomic structure calculations of energy levels and their atcmic properties. For transition probabilities of radiative transitions between low-lying levels of an atom or ion, accurate wave functions for the outer region of are required. For lighter atoms, relativistic effects can he included through the Breit-Pauli approximation. This paper oudines the advances in the treatment of correlation and describes the current state of Breit-Pauli calculations for complex systems.