Ne原子及其等电子系列离子的能级结构和跃迁特性的理论研究
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摘要
本文利用多组态Dirac-Fork(MCDF)理论方法，通过对辐射跃迁初、末态电子波函数的独立计算以及在原子态波函数的展开中考虑不同数量的组态波函数，系统地研究了弛豫和相关效应对中性Ne原子2p~53s~(1.3)P_1~o-2p~6 ~1S_0电偶极共振和复合跃迁的能量以及跃迁几率的影响，给出了长度和速度两种不同规范下激发态的能量和辐射寿命；以中性Ne原子的研究为基础，进一步研究了类Ne等电子系列离子(Z=11-18)较低的激发组态2p~53s和基组态2p~6的能级结构以及各能级间的辐射跃迁特性。给出了2p~53s ~(1.3)P_1~o- 2p~6 ~1S_0电偶极(E1)共振和复合跃迁，2p~53s ~3P_2~o-2p~6 ~1S_0磁四极(M2)跃迁以及2p~53s ~3P_0~o-2p~53s ~3p_0~o磁偶极(M1)跃迁的跃迁能以及激发态~1P_1~o，~3P_0~o，~3P_1~o，~3P_2~o的辐射寿命，并分析了其寿命值沿等电子系列的变化规律。
在系统地考虑弛豫和相关效应的基础上，计算了以往理论和实验结果之间存在非常大的偏差的中Z类氖Cr~(14+)，Ni~(18+)和Se~(24+)离子2p~53d ~1P_1~o，~3D_1~o-2p~6 ~1S_0共振跃迁和复合跃迁谱线的相对振子强度，并与最新实验观测和其他理论计算结果进行了比较。结果表明，目前的计算极大地提高了理论处理的精度，与实验结果符合的比较好，从而在一定程度上解释了以往理论和实验之间有较大偏差的原因。
By using the multi-configuration Dirac-Fock (MCDF) method, the effects of relaxation and correlation on the transition energies and probabilities of electric-dipole allowed (El) resonance and intercombination transitions for 2p53s3 - 2p6 in neutral neon have been systematically studied firstly. And the results of the transition energies and probabilities (lifetimes) in length and velocity gauge have been presented. During the calculation, in order to consider the rearrangement effects of the bound-state density and some important correlations, the ASFs of transition initial- and final-states were divided according to their angular-momentum and parity and calculated, and different number of CSFs were included in the expansion of ASFs. Secondly, the energy levels and transition properties of low-lying excitation configuration 2p33s and closed-shell ground state 2p6 in Neon-like ions (Z= 11,18) have been systematically studied by using the Multi-configuration Dirac-Fock method (MCDF). The transition energies of electric-dipole allowed (El) resonance and intercombination transitions for 2p53s - 2p6 So, magnetic quadrupole transition (M2) for 2p53s 3P-2p6 and magnetic dipole transition (Ml) for 2p53s 3P -2p53s 3P and the radiation lifetimes of the excitation states and were presented, and the results along the isoelectronic sequence were discussed and analysised.
Finally, by considering the effects of relaxation and correlation systematically . the relative oscillator strengths of the 3d-2p resonance and intercombination lines were calculated for the neonlike ions Cr14+, Ni18+ and Se24+, in which the recently observed ratios at the Livermore EBIT-II electron beam ion trap and the PLT tokamak are significantly smaller than theoretical predictions. Compared with the some existing experiments and theoretical calculations available and which shows that the accuracy of the present calculation is increased by largely, and the results are more close the newly measurements.
在系统地考虑弛豫和相关效应的基础上，计算了以往理论和实验结果之间存在非常大的偏差的中Z类氖Cr~(14+)，Ni~(18+)和Se~(24+)离子2p~53d ~1P_1~o，~3D_1~o-2p~6 ~1S_0共振跃迁和复合跃迁谱线的相对振子强度，并与最新实验观测和其他理论计算结果进行了比较。结果表明，目前的计算极大地提高了理论处理的精度，与实验结果符合的比较好，从而在一定程度上解释了以往理论和实验之间有较大偏差的原因。
By using the multi-configuration Dirac-Fock (MCDF) method, the effects of relaxation and correlation on the transition energies and probabilities of electric-dipole allowed (El) resonance and intercombination transitions for 2p53s3 - 2p6 in neutral neon have been systematically studied firstly. And the results of the transition energies and probabilities (lifetimes) in length and velocity gauge have been presented. During the calculation, in order to consider the rearrangement effects of the bound-state density and some important correlations, the ASFs of transition initial- and final-states were divided according to their angular-momentum and parity and calculated, and different number of CSFs were included in the expansion of ASFs. Secondly, the energy levels and transition properties of low-lying excitation configuration 2p33s and closed-shell ground state 2p6 in Neon-like ions (Z= 11,18) have been systematically studied by using the Multi-configuration Dirac-Fock method (MCDF). The transition energies of electric-dipole allowed (El) resonance and intercombination transitions for 2p53s - 2p6 So, magnetic quadrupole transition (M2) for 2p53s 3P-2p6 and magnetic dipole transition (Ml) for 2p53s 3P -2p53s 3P and the radiation lifetimes of the excitation states and were presented, and the results along the isoelectronic sequence were discussed and analysised.
Finally, by considering the effects of relaxation and correlation systematically . the relative oscillator strengths of the 3d-2p resonance and intercombination lines were calculated for the neonlike ions Cr14+, Ni18+ and Se24+, in which the recently observed ratios at the Livermore EBIT-II electron beam ion trap and the PLT tokamak are significantly smaller than theoretical predictions. Compared with the some existing experiments and theoretical calculations available and which shows that the accuracy of the present calculation is increased by largely, and the results are more close the newly measurements.
引文
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[3] C. J. Keane, B. A. Hammel, A. L. Osterheld et al., Phys. Rev. Lett., 72 (1994), 3029.
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[9] P. Beiersdorfer, S. von Goeler, M. Bitter, et al., Phys. Rev. A37 (1998), 4153.
[10] P. Beiersdorfer, M. H. Chen, R. E. Marrs, et al., Phys. Rev. A41 (1990), 3453.
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[12] N. Nakamura, D. Kato, and S. Ohtani, Phys. Rev. A61 (2000), 052510.
[13] E. Avgoustoglou, W. R. Johnson, Z. W. Liu, et al., Phys. Rev. A51 (1995), 1196.
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[18] E. P. Ivanova and A.V. Gulov, At. Data Nucl. Data Tables 49 (1991), 1.
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[24] A. Hibbert, M. Le Dourneuf, and M. Mohan, At. Data Nucl.Data Tables 53 (1993),23.
[25] M. Cornille, J. Dubau, and S. Jacquemot, At. Data Nucl. Data Tables 58(1994),1.
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[38] S. Fritzsche, C. Froese Fischer, C. Z. Dong, Comput. Phys. Commun., 124 (2000),340.
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[40] C. Z. Dong, S. Fritzsche and B. Fricke, J. Electr, Spec. Rel. Phenon., 114-116 (2001), 157.
[41] 董晨钟，颉录有，S．Fritzsche．XeI原子6s[3／2]2亚稳态寿命的理论研究，原子核物理评论，2002，(已接收)．
[42] C. Z. Dong. Ph D thesis: Systematic Multi-Configuration Calculations on Structures and Properties of Complex Atoms[D]. Germany: University of Kassel,2001.
[43] P. J. Molar, Ann. Phys. (NY) 88 (1974), 26;Phys. Rev. Lett. 34 (1975), 1050; Phys.Rev. A58 (1982), 1885.
[44] K. G. Dyall, I. P. Grant, C. T. Johnson, et al., Comput. Phys. Commun., 55 (1989) 425.
[45] B. Fricke, Phys. Scr.,T8 (1984), 129.
[46] R. D. Cowan, The theory of atomic structure and spectra[M], (University of Califomia press, in 1981).
[47] H. A. Bethe and E. E. Salpeter, Quantum Mechanics of One-and Two-electron Systems[M], (Springer-Verlag, Beilin, in 1957).
[48] E. P. Wigner, Group Theory and Its Applications to the Quantum Mechanics of Atomic Spectra [M], (Academic Press, New York, in 1959).
[49] L. Natarajan and Y. G. Mulye, J. Phys. B34 (2001), 1839.
[50] P. Indelicato, Phys. Rev. A51 (1995), 1132.
[51] P. J. Mohr, Ann. Phys. (NY) 88 (1974), 26; Phys. Rev. Lett. 34 (1975), 1050; Phys.Rev. A26 (1982), 2338.
[52] I. P. Grant, J. Phys. B7 (1974), 1458.
[53] B. O. Roos, P. R. Taylor and P. E. M. Siegbahn, Chem. Phys. 48 (1980), 157.
[54] B. Fricke, E. Johnson and G. M. Rivera, Radiochim. Acta 62 (1993),17.
[55] E. Biemont, J. Phys. B30 (1997), 4207.
[56] A. Ynnerman and C. Froese Fischer, Phys. Rev. A51 (1995), 2020.
[57] Z. P. Zhong, S. L. Wu, R. F. Feng, et al. Phys. Rev., A55 (1997), 3388.
[58] E. N. Avgoustoglou and D. R. Beck. Phys. Rev., A57 (1998), 4286.
[59] G. M. Lawrence, and H. S. Liszt. Phys. Rev., 178 (1969), 122.
[60] J. A. Kernahan, A. Denis, and R. Drouin. Phys. Scr., 4 (1971), 49.
[61] NIST Atomic Spectra Database Data, http://physlab2.nist.gov/cgi-bin/AtData,(1999).
[62] M. Aymar, S. Feneuille, and M. Klapisch. Nucl. Instmm. Methods. 90 (1970), 137.
[63] R. S. Van Dyck, Jr., C. E. Johnson, and H. A. Shugart, Phys. Rev. A5 (1972),991.
[64] N. E. Small-Warren and L. C. Chiu, Phys. Rev. A11(1975), 1777.
[65] D. H. Stedman and D. W. Setser, Prog. React. Kinet. 6(1971), 193.
[66] M. Crance, At. Data Nucl. Data Tables 5 (1973), 185.
[67] L. LaJohn, Physica Scripta, 49 (1994), 169.
[68] W. Schlagheck, Phys. Lett. A54 (1975), 181.
[69] M. Westerlind, et al., Phys. Rev. A45 (1992), 6198.
[70] J. P. Buchet, et al., Phys. Lett. A77 (1980), 424.
[71] K. R. Gardner, L. C. Cocke, K. T. Saylor, et al., J. Opt. Soc. Am. 68 (1978), 830.
[72] G. H. Berry, J. Desequelles, T. K. Cheng, et al., Phys. Rev. A8 (1978), 546.
[73] H. L. Zhang, D. Sampson, and A. K. Mohanty, Phys. Rev. A40 (1989), 616.
[74] J. A. Cogordan and S. Lunell, Phys. Scr. 33 (1986), 406.