类铍离子激发态的能量计算

采用多组态相互作用方法及Rayleigh- Ritz变分法,计算了类铍O4+离子1s22s2p3Po态的非相对论能量,并详细分析了如何选择质量最好的变分波函数.运用截断变分方法进一步饱和函数空间得到能量的改进量,并考虑相对论修正、质量极化效应等获得了相对论能量计算值.计算结果表明,此理论计算方法可得到高精度的能量计算值.

The energy calculation of the excited state for berylliumlike ions

The Rayleigh-Ritz variational calculation is carried out with a multiconfiguration-interraction wave function on the excited state 1s~22s2p()~3P~o in berylliumlike O~(4 ). Choosing the basis function with sufficiently high quality get the energy E_b. A restricted variation method is used to extrapolate a better nonrelativistic energy. The relativistic corrections and mass polarization are included. The results are better than other theoretical and agreement with experimental data.