在多通道量子亏损理论框架下,利用相对论多通道理论,分别在冻结实近似和考虑偶极极化下计算钪原子的Jπ=(3/2)-,(5/2)-的三个收敛于[Ar]3d4s(1D2)的自电离里德伯系列的能级.对3d4s(1D2)np2D3/2和3d4s(1D2)nf2F5/2这两个系列,计算结果表明,考虑偶极极化效应后,理论计算和实验测量的量子数亏损之差普遍小于0.01.而对3d4s(1D2)nf2D3/2系列,考虑偶极极化效应后的结果和仅考虑冻结实的结果比较接近,理论计算和实验测量的量子数亏损之差普遍在0.04左右.
In the frame work of multi-channel quantum defect theory,the energy levels of three autoionization Rydberg series converging to Sc + [Ar]3d4s(1 D2) with Jπ = (3/2)-,(5 /2)-are calculated from first principles by relativistic multichannel theory at two levels of approximation,i. e. ,frozen core approximation and that with consideration of dipole polarization. Considering dipole polarization effect,the difference between calculated and experimental quantum defects for the 3d4s(1 D2) np2 D3/2 and 3d4s(1 D2) nf2 F5/2 series are smaller than 0. 01,thus the dipole polarization effects are important for the two autoionization Rydberg series. While for 3d4s(1 D2)nf2 D3/2 series,the calculated data by frozen core approximation are close to those by considering dipole polarization effects,and the difference between calculated and experimental quantum defects are generally about 0. 04.