物理学报
物理學報
물이학보
2013年
10期
79-88
,共10页
Nb XIII离子%二电子激发组态%谱线波长%跃迁概率
Nb XIII離子%二電子激髮組態%譜線波長%躍遷概率
Nb XIII리자%이전자격발조태%보선파장%약천개솔
Nb XIII%two-electron excitation configurations%wavelengths%transition probabilities
用准相对论Hartree-Fock方法对Nb XIII离子二电子激发组态3d94s2,3d94s4p,3d94p2的能级结构做了全面系统的理论计算研究.在对已有研究结果分析的基础上,运用最小二乘方法对径向积分参数进行了优化计算,得到了与这些组态有关的电偶极允许跃迁的谱线波长和跃迁概率.计算结果与最新的实验值做了对比分析,表明本文计算结果是准确的.研究发现,波长40.92 nm的谱线,属于3d94s(1D)4p 2F7/2—3d9(2D)4s22D5/2的跃迁谱线,而不属于3d94s (1D)4p 4D7/2—3d9(2D)4s22D5/2的跃迁谱线,即上谱项能级为2F7/2,而不是4D7/2.
用準相對論Hartree-Fock方法對Nb XIII離子二電子激髮組態3d94s2,3d94s4p,3d94p2的能級結構做瞭全麵繫統的理論計算研究.在對已有研究結果分析的基礎上,運用最小二乘方法對徑嚮積分參數進行瞭優化計算,得到瞭與這些組態有關的電偶極允許躍遷的譜線波長和躍遷概率.計算結果與最新的實驗值做瞭對比分析,錶明本文計算結果是準確的.研究髮現,波長40.92 nm的譜線,屬于3d94s(1D)4p 2F7/2—3d9(2D)4s22D5/2的躍遷譜線,而不屬于3d94s (1D)4p 4D7/2—3d9(2D)4s22D5/2的躍遷譜線,即上譜項能級為2F7/2,而不是4D7/2.
용준상대론Hartree-Fock방법대Nb XIII리자이전자격발조태3d94s2,3d94s4p,3d94p2적능급결구주료전면계통적이론계산연구.재대이유연구결과분석적기출상,운용최소이승방법대경향적분삼수진행료우화계산,득도료여저사조태유관적전우겁윤허약천적보선파장화약천개솔.계산결과여최신적실험치주료대비분석,표명본문계산결과시준학적.연구발현,파장40.92 nm적보선,속우3d94s(1D)4p 2F7/2—3d9(2D)4s22D5/2적약천보선,이불속우3d94s (1D)4p 4D7/2—3d9(2D)4s22D5/2적약천보선,즉상보항능급위2F7/2,이불시4D7/2.
@@@@Fine-structure energy levels of two-electron excitation configurations 3d94s2, 3d94s4p, 3d94p2 are calculated by Hartree-Fock method, which includes the configuration interaction, relativistic correction and approximate Breit correction, for copper-like Nb XIII. More accurate levels are obtained by the least-square-fit technique. The wavelengths and transition probabilities of 3d94s4p–3d104s, 3d94s2–3d104p, 3d94p2–3d104p, 3d94s4p–3d94s2 transition array are obtained, and some unknown results are predicted. Computing research shows that the 40.92 nm line should belong to 3d94s(1D)4p 2F7/2–3d9(2D)4s2 2D5/2 transition, but not to the 3d94s(1D)4p 4D7/2–3d9(2D)4s2 2D5/2 transition, and the upper term level should be 2F7/2, but not 4D7/2.
