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物理学报  2002 

Theoretical calculation of the fine-structure and term energy of the excited states 1s2nd (n=3,4,5) of lithium-like systems
类锂体系激发态1s2nd(n=3,4,5)精细结构和项能的理论计算

Keywords: lithium,like systems,full core plus correlation,fine,structure,excited states
类锂体系
,全实加关联,精细结构,激发能

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Abstract:

The full core plus correlation (FCPC) and the minimiziation of the expectation value of the Hamiltonian method is extended to calculate the non relativistic energies and the wave functions of 1s 2 n d ( n =3,4,5) states for the lithium like systems from Z =11 to 20. The mass polarization and the relativistic correction including the kinetic energy correction, the Darwin term, the electron electron contact term, and the orbit orbit interaction are calculated perturbatively as the first order correction. The contribution from quantum electrodynamics (QED) is also included by using the effective nuclear charge formula. The excited energies, fine structure, and the term energy are given and compared with other theoretical calculation and experimental results. It is shown that the correlative wave in the FCPC method embodies very well the strong correlation effect between the 1s 2 core and the valence electron.

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