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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. 相似文献
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Charlotte Froese Fischer 《复旦学报(自然科学版)》2007,46(1)
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… 相似文献
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Charlotte Froese Fischer 《复旦学报(自然科学版)》2007,46(1):27-32
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. 相似文献
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