共查询到19条相似文献,搜索用时 171 毫秒
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本文使用多组态Dirac-Hartree-Fock方法计算了29Si的3s23p2 3P2,1D2→3s3p3D30跃迁能量和3P2,3D30超精细结构A常数以及Si同位素29Si,30Si和31Si相对于28Si在3s23p2 3P2→3s3p3 3D30跃迁的同位素移动.通过尝试双电子激发(SD)和三电子激发(SDT),分别考虑VV相关,CV相关和CC相关产生各种不同的扩展组态波函数得到的计算结果和实验值的比较,推测了对于中性硅原子这两个组态,内壳层2p2s,1s电子活动到外壳层的概率较小,而3s3p壳层中的电子都比较活跃,但主要是在n=3,4的壳层内活动,活动到更高n壳层的概率则比较小. 相似文献
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用HFR(Hartree-Fock with relativistic corrections)方法对Rb V—Cd XVI离子4s24p3和4s4p4组态能级结构做了全面系统的理论计算研究. 通过分析能级结构参数的HFR理论计算值与基于实验能级拟合得到的计算值之比值随着原子序数Zc变化的规律,运用广义拟合外推方法预言了这些离子能级结构参数. 由此进一步计算了Rh XⅢ,Pd XIV,Ag XV和Cd XVI离子4s24p3(4S3/2,2P1/2,3/2,2D3/2,5/2)和4s4p4(4P1/2,3/2,5/2,2P1/2,3/2,2D3/2,5/2,2S1/2)组态能级以及电偶极跃迁波长与振子强度. 研究表明,对于4s24p3组态,单组态近似可以得到较满意的结果;而对于4s4p4组态,只有在考虑了4s24p24d的组态相互作用效应时,计算结果的准确性才能明显得到提高. 同时,本文还运用全相对论grasp2K-DEV程序包计算了Rh XⅢ—Cd XVI离子组态能级. 对于Rh XⅢ离子4s24p3(2P1/2),Pd XIV离子4s24p3(4S3/2,2P1/2,3/2,2D3/2,5/2)和4s4p4(2P1/2,3/2,2D3/2,5/2,2S1/2),能级均无实验值;对于Ag XV和Cd XVI离子,截至目前还没实验能级数据,没有实验能级值的所有数据均仅来自本文的计算数值. 本文计算结果与已有实验值吻合得很好. 相似文献
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采用多通道鞍点和鞍点复数转动方法,计算了类锂离子(Z=3—10)2s2s2p2P0和2s2p2p2D三激发共振态系列的能量、精细结构和寿命.Auger宽度由耦合主要的通道得到,相对论效应计算到一级微扰,质量极化效应计算到无穷级.
关键词: 相似文献
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采用全相对论扭曲波方法,系统地计算了类铍N3+和 O4+离子从基态到2s2p和2p2 的各激发态以及从亚稳态到2p2各激发态的电子碰撞激发截面,详细地讨论了靶态的关联效应对激发截面的影响.结果表明:对于2s-2p的单电子激发,在低能碰撞时,靶态的电子关联效应起非常重要的作用,且使得激发截面降低;而高能碰撞时,靶态波函数的描述对连续态波函数的影响比较小,对激发截面影响也比较小.对于2s2-2p2的双电子激发,其中基态2s21S0到J=0的2p23P0,1S0的激发截面较大,其主要原因是末离子态波函数与基组态波函数的混合,但是其他几个激发的激发截面较小.
关键词:
全相对论扭曲波方法
电子碰撞激发
电子关联效应 相似文献
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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)4p2F7/2–3d9 (2D)4s2 2D5/2 的跃迁谱线, 而不属于3d94s (1D)4p4D7/2–3d9(2D)4s2 2D5/2 的跃迁谱线, 即上谱项能级为2F7/2, 而不是4D7/2.
关键词:
Nb XIII离子
二电子激发组态
谱线波长
跃迁概率 相似文献
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P. Indelicato 《Hyperfine Interactions》1997,108(1-3):39-49
I have performed a complete Multi-Configuration Dirac-Fock calculation of the radiative de-excitation of the 1s22s3p3P0 level in beryllium-like ions. Initial and final wave functions are fully optimized, and include valence and core polarization
correlation (Coulomb and Magnetic). Non-orthogonality between initial and final state spin-orbitals is exactly accounted for.
I show that the main mode of de-excitation of the 1s22s3p3P0 level at high Z is an E2 transition to the 1s22s2p3P2 and that a two-electron one-photon E1 transition to the 1s22p2
3P1 plays an important role at low Z. The latter transition appears to be the difference of two large matrix elements which cancel
almost exactly and thus has a very complicated Z dependence, which is studied in the present paper.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献
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R. Glass 《Zeitschrift für Physik A Hadrons and Nuclei》1979,292(4):363-367
Configuration interaction wavefunctions for the 1s22s2 1S, 1s22s2p3P0,1p0 and 1s22p2 3P,1D,1S, states are calculated for MgIX, SiXI, ArXV, CaXVII and FeXXIII and are used to calculate oscillator strengths, both the length and velocity forms, for transitions between these states. 相似文献
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A. K.S. Jha P. Jha S. Tyagi M. Mohan 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2006,39(3):391-398
We present relativistic close-coupling photoionization calculations of Al IV
using the Breit-Pauli R-matrix method to obtain photoionization cross-section of Al IV from the ground state and the lowest
two J=0 (even) excited
states. A multi-configuration eigenfunctions expansion of the core Al V is
employed with spectroscopic configurations 2s22p5,
2s2p6,
2s22p43s, 2s22p43p, 2s22p43d and
2s22p44s. We have included, for the first time, the lowest 68
level target states of Al V in the photoionization calculations of Al IV.
Extensive configuration interaction wavefunctions are used to describe both
the initial Al IV states and the final Al V states. Cross-sections are
compared from three level calculations including only 2s2 2p5 2Po
3/2, 1/2 and 2s 2p6
2S1/2 levels of Al
V. The present calculation using the lowest 68 target levels of Al V are
presented for the first time and should provide reasonably complete database
for practical application for photoionization cross-section for Al IV, where
high-energy cross-sections along with near-threshold photoionization cross-section is required. 相似文献
14.
The multiconfiguration Hartree-Fock (MCHF) method is used to calculate the excitation energies and oscillator strengths, of
both the length (f
L) and velocity (f
V) forms, for 1s22s22p63s23p63d2
D→1s22s22p63s23p53d2
2
P
0,2
D
0,2
F
0 transitions in Cr5+, Mn6+ and Fe7+ ions of the potassium isoelectronic sequence. Comparison is made with our earlier relevant results obtained by employing
the configuration interaction (CI) method which is closely related to the MCHF method. Our present investigation demonstrates
that the MCHF method is more accurate than the CI method in all ions of present consideration. 相似文献
15.
O. A. Bukin I. V. Bazarov N. V. Bodin A. A. Il’in V. I. Tsarev A. Yu. Maior E. N. Bol’shakova 《Journal of Applied Spectroscopy》2000,67(2):320-326
This article reports the results of an experimental investigation of the basic mechanisms that cause the broadening of emission
lines of a laser-induced plasma generated on the surface of rigid targets in a gaseous atmosphere. The contribution of Stark
and resonance mechanisms of emission-line broadening for the resonance doublet Al I 3s23p2P3/2,1/2-3s24s2S1/2 and triplet Mg I 3s3p3P
0,1,2
0
-3s4s3S1 is discussed. The concentrations of neutral Al atoms in the laser-induced plasma are evaluated by the magnitude of resonance
line broadening.
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 67, No. 2, pp. 234–237, March–April, 2000. 相似文献
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We present theoretical oscillator strengths and wavelengths for transitions between high spin states in BI and BII (e.g. BI 1s2s2p23s6P - 1s2s2p36S0), recently observed for the first time in Beam-Foil Spectroscopy, and between the ground state 2P0 and the 2S mixed (valence-Rydberg) excited states in BI. 相似文献
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Ion impact excited spectra of Ne contain a line at 52.82 nm which has been identified as resulting from the decay of double 2s vacancies in NeIII via the transition 2s02p6(1S0)?2s12p5(1P1). 相似文献
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Relativistic calculations of 3s2 1S0-3s3p 1P1 and 3s2 1S0-3s3p 3P1,2 transition probabilities in the Mg isoelectronic sequence
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Using the multi-configuration Dirac-Fock self-consistent field method and the relativistic configuration-interaction method,calculations of transition energies,oscillator strengths and rates are performed for the 3s 2 1 S 0-3s3p 1 P 1 spinallowed transition,3s 2 1 S 0-3s3p 3 P 1,2 intercombination and magnetic quadrupole transition in the Mg isoelectronic sequence(Mg I,Al II,Si III,P IV and S V).Electron correlations are treated adequately,including intravalence electron correlations.The influence of the Breit interaction on oscillator strengths and transition energies are investigated.Quantum electrodynamics corrections are added as corrections.The calculation results are found to be in good agreement with the experimental data and other theoretical calculations. 相似文献
19.
R. Glass 《Zeitschrift für Physik A Hadrons and Nuclei》1981,302(3):203-211
Fine-structure splittings, wavelengths and transition probabilities are evaluated for transitions 2p 2 1 S 0→2s2p 3 P 1 0, 2p 2 1 D 2→2s2p 3 P J 0 (J=1, 2) and 2p 2 3 P J →2s2p 1 P 1 0 (J =0, 1, 2) in beryllium-like ions using configuration interaction wavefunctions. Some significant differences with previous calculations are obtained. At present there are no experimental results. However, from calculations reported here it should clearly be worthwhile to search for these lines in laboratory and astrophysical spectra. The decay of the 2p 2 1 D 2 level is discussed. 相似文献