关联B-spline计算氦原子能级、极化率和Bethe-logarithm
【摘要】:基于B-spline基组,发展了一套可用于少电子原子体系谱性质精密计算的关联基组~1。因这类基组继承了传统B-spline基所具备的特点,又能很好的描述电子之间的渐进行为,我们称之为关联B-spline基。应用这种基组,我们已对两电子原子He的能级和极化率性质做过计算。关联B-spline基组方法给出氦原子基态能量为E=-2.9037243771(2) a.u.,这相比较传统B-spline组态相互作用方法结果提高了7位有效数字。对于低能态的极化率性质,关联B-spline方法给出了与Hylleraas方法同等精度的结果,两种基组在理论上得到了很好的相互验证。近期,应用关联B-spline方法计算了He原子体系QED效应中领头项Bethe-Logarithm。下列表格中列出了部分结果,同时也与其他理论结果进行了比较(见下表)。
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