铜原子单激发态3d104p 2P1/2的光电离(英文)

顾素洁; 万建杰; 郭娜; 马新文

doi:10.11804/NuclPhysRev.36.03.357

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铜原子单激发态3d¹⁰4p ²P_1/2的光电离(英文)

顾素洁, 万建杰, 郭娜, 马新文

文章导航 > 原子核物理评论 > 2019 > 36(3): 357-366

顾素洁, 万建杰, 郭娜, 马新文. 铜原子单激发态3d104p 2P1/2的光电离(英文)[J]. 原子核物理评论, 2019, 36(3): 357-366. doi: 10.11804/NuclPhysRev.36.03.357

引用本文:

顾素洁, 万建杰, 郭娜, 马新文. 铜原子单激发态3d¹⁰4p ²P_1/2的光电离(英文)[J]. 原子核物理评论, 2019, 36(3): 357-366. doi: 10.11804/NuclPhysRev.36.03.357

GU Sujie, WAN Jianjie, GUO Na, MA Xinwen. Photoionization of Excited State 3d104p 2P1/2 of Cu[J]. Nuclear Physics Review, 2019, 36(3): 357-366. doi: 10.11804/NuclPhysRev.36.03.357

Citation:

GU Sujie, WAN Jianjie, GUO Na, MA Xinwen. Photoionization of Excited State 3d¹⁰4p ²P_1/2 of Cu[J]. Nuclear Physics Review, 2019, 36(3): 357-366. doi: 10.11804/NuclPhysRev.36.03.357

铜原子单激发态3d¹⁰4p ²P_1/2的光电离(英文)

doi: 10.11804/NuclPhysRev.36.03.357

1.
西北师范大学物理与电子工程学院, 兰州 730070;
2.
中国科学院近代物理研究所, 兰州 730000

基金项目: 国家自然科学基金资助项目（11320101003，11204243）；西北师范大学物理与电子工程学院物理学科科研创新团队项目资助

详细信息

通讯作者: 万建杰,E-mail:wanjj@nwnu.edu.cn;马新文,E-mail:x.ma@impcas.ac.cn。

中图分类号: O571.6

Photoionization of Excited State 3d¹⁰4p ²P_1/2 of Cu

1.
College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070, China;
2.
Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China

Funds: National Natural Science Foundation of China(11320101003, 11204243); Scientific Research Foundation of Physics of CPEE NWNU

摘要: 铜原子能级结构的理论计算具有非常大的挑战性。本文基于多组态Dirac-Hartree-Fock（MCDHF）方法和相对论组态相互作用（RCI）方法，通过三个大规模的关联模型计算了单激发态3d¹⁰4p ²P_1/2、双激发态3d⁹4s（³D）5s⁴D_3/2，1/2，3d⁹4s（³D）5s ²D_3/2，3d⁹4s（¹D）5s ²D_3/2以及离子态3d^{10 1}S₀能级和波函数。结果表明，铜原子能级结构对有限组态空间的选择极其敏感，双激发态3d⁹4s（³D）5s ⁴D_3/2，1/2，3d⁹4s（³D）5s ²D_3/2，3d⁹4s（¹D）5s ²D_3/2和离子态3d^{10 1}S₀与单激发态之间的能量差相对于已有实验结果均存在大约-0.4 eV的偏差，而计算得到的共振电子能量与实验结果符合得较好。此外，根据辐射跃迁矩阵元和非辐射跃迁矩阵元计算了双激发态的Fano参数q，并基于Fano理论得到了铜单激发态3d¹⁰4p ²P_1/2的总光电离截面，该理论考虑了直接光电离与光激发自电离之间的干涉效应，即共振3d⁹4s（³D）5s ⁴D_3/2，1/2、3d⁹4s（³D）5s ²D_3/2和3d⁹4s（¹D）5s ²D_3/2具有明显的非对称的Fano轮廓，表明光电离过程与光激发自电离过程之间的干涉对双激发态共振附近的光电离截面轮廓有着极其重要的影响。
- 多组态Dirac-Hartree-Fock(MCDHF)方法 /
- 单激发态 /
- 双激发态 /
- 铜原子 /
- 光电离截面
Abstract: The calculation of energy level structures is still a challenge for atomic Cu. In the present work, based on the multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods, three large-scale correlation models have been used to calculate the energies and wavefunctions of the singly excited state 3d¹⁰4p ²P_1/2, the doubly excited states 3d⁹4s(³D)5s ⁴D_3/2,1/2, 3d⁹4s(³D)5s ²D_3/2, 3d⁹4s(¹D)5s ²D_3/2 and the ionic state 3d^{10 1}S₀. The results show that the calculated level structures of copper are very sensitive to the choice of finite configuration space. All of the energy differences are less than the existing experimental results by about -0.4 eV between the doubly excited states 3d⁹4s(³D)5s ⁴D_3/2,1/2, 3d⁹4s(³D)5s ²D_3/2, 3d⁹4s(¹D)5s ²D_3/2 and the ionic state 3d^{10 1}S₀ with the singly excited state 3d¹⁰4p ²P_1/2, but the calculated resonant electron energies agree well with the experimental results. In addition, according to the radiative and nonradiative transition matrix elements, the Fano parameters q have been calculated for the doubly excited states. Then, the total photoionization cross sections of singly excited state 3d¹⁰4p ²P_1/2 of copper is obtained, where the interference effects can be considered between direct photoionization and photoexcitation autoionization. The resonances 3d⁹4s(³D)5s ⁴D_3/2,1/2, 3d⁹4s(³D)5s ²D_3/2, 3d⁹4s(¹D)5s ²D_3/2 have obvious asymmetrical Fano profiles, which indicates that the interference between photoionization and photoexcitation autoionization has an extremely important influence on the photoionization cross sections near the doubly excited resonances.
- multiconfiguration Dirac-Hartree-Fock (MCDHF) method /
- singly excited state /
- doubly excited state /
- atomic Cu /
- photoionization cross section

[1]	CHANTLER C T, LOWE J A, GRANT I P. Phys Rev A, 2010, 82:052505.
[2]	HINNOV E, SUCKEWER S, COHEN S, SATO K. Phys Rev A, 1982, 25:2293-2301.
[3]	DEUTSCH M, HÖLZER G, HÄRTWIGS J, et al. Phys Rev A, 1995, 51:283.
[4]	MSEZANE A Z, HENRY R J W. Phys Rev A, 1986, 33:1631.
[5]	CHANTLER C T, HAYWARD A C L, GRANT I P. Phys Rev Lett, 2009, 103:123002.
[6]	CHANTLER C T, LOWE J A, GRANT I P. Phys Rev A, 2012, 85:032513.
[7]	WILLIAMS W, TRAJMAR S. Phys Rev Lett, 1974, 33:187.
[8]	SCHEIBNER K F, HAZI A U, HENRY R J W. Phys Rev A, 1987, 35:4869.
[9]	ZHANG J Y, MITROY J, SADEGHPOUR H R, et al. Phys Rev A, 2008, 78:062710.
[10]	ZATSARINNY O, BARTSCHAT K, SUVOROV V, et al. Phys Rev A, 2010, 81:062705.
[11]	ZATSARINNY O, BARTSCHAT K. Phys Rev A, 2010, 82:062703.
[12]	CURTIS L J, THEODOSIOU C E. Phys Rev A, 1989, 39:605.
[13]	WILSON M. J Phys B, 1969, 2:524.
[14]	CARLSSON J. Phys Rev A, 1988, 38:1702.
[15]	MIGDALEK J, BAYLIS W E. J Phys B, 1978, 11:L497.
[16]	FISCHER C F. J Phys B. 1977, 10:1241.
[17]	BAIG M A, RASHID A, HANIF M, et al. Phys Rev A, 1992, 45:2108.
[18]	LOWE J A, CHANTLER C T, GRANT I P. Phys Rev A, 2011, 83:060501.
[19]	ZATSARINNY O, BARTSCHAT K, SUVOROV V, et al. Phys Rev A, 2010, 81:062705.
[20]	ZATSARINNY O, BARTSCHAT K. Phys Rev A, 2010, 82:062703.
[21]	TRAJMAR S, WILLIAMS W, SRIVASTAVA S K. J Phys B, 1977, 10:3323.
[22]	WILLIAMS W, TRAJMAR S. Phys Rev Lett, 1974, 33:187.
[23]	LLOVET X, MERLET C, SALVAT F. J Phys B, 2000, 33:3761.
[24]	SÁNCHEZ H J, VALENTINUZZI M C, PÉREZ C. J Phys B, 2006, 39:4317.
[25]	MURTY V R K, RAO K S, PARTHASARADHI K, et al. J Phys B, 1977, 10:3189.
[26]	NATHURAM R, SUNDARA RAO I S, MEHTA M K. Phys Rev A, 1988, 37:4978.
[27]	KRELLMANN H, SIEFART E, WEIHRETER E. J Phys B, 1975, 8:2608.
[28]	SIEFART E, NEY J, BUCKA H, et al. J Phys B, 1974, 7:1279.
[29]	ZERNE R, LARSSON J, SVANBERG S. Phys Rev A, 1994, 49:128.
[30]	LOOCK HANS-PETER, BEATY LEANNE M, SIMARD BENOIT. Phys Rev A, 1999, 59:873.
[31]	BENGTSSON J, LARSSON J, SVANBERG S, et al. Phys Rev A, 1990, 41:233.
[32]	TERRENCE J, POWELL C J. Phys Rev Lett, 1981, 46:953.
[33]	SCHMIDT E, SCHRÖDER H, SONNTAG B, et al. J Phys B, 1984, 17:707.
[34]	AKSELA S, SIVONEN J. Phys Rev A, 1982, 25:1243.
[35]	HAAK H W, SAWATZKY G A, THOMAS T D. Phys Rev Lett, 1978, 41:1825.
[36]	CASNATI E, TARTARI A, BARALDIT C, NAPOLI G. J Phys B, 1985, 18:2843.
[37]	BERÉNYI D, HOCK G, RICZ S, et al. J Phys B, 1978, 11:709.
[38]	JÖNSSON P, HE X, FROESE FISCHER C, et al. Comp Phys Commun, 2007, 177:597.
[39]	FRITZSCHE S. Comp Phys Commun, 2012, 183:1525.
[40]	GRANT I P, MCKENZIE B J, NORRINGTON P H, et al. Comp Phys Commun, 1980, 21:207.
[41]	DYALL K G, GRANT I P, JOHNSON C T, et al. Comp Phys Commun, 1989, 55:425.
[42]	GRANT I P. Relativistic Quantum Theory of Atoms and Molecules (New York:Springer), 2007.
[43]	FANO U. Phys Rev, 1961, 124:1866.
[44]	FANO U, COOPER J W. Phys Rev A, 1965, 137:1364.
[45]	WAN J J, DONG C Z. Chin Phys B, 2009, 18:3819.
[46]	ROOS B O, TAYLOR P R, SIEGBAHN P E M. Chemical Physics, 1980, 48:157.
[47]	KRAMIDA A, RALCHENKO Yu, READER J, and NIST ASD Team (2015). NIST Atomic Spectra Database (ver. 5.3),[Online]. Available:http://physics.nist.gov/asd[2017, May 7]. National Institute of Standards and Technology, Gaithersburg, MD.

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铜原子单激发态3d¹⁰4p ²P_1/2的光电离(英文)

doi: 10.11804/NuclPhysRev.36.03.357

1. 西北师范大学物理与电子工程学院, 兰州 730070;

2. 中国科学院近代物理研究所, 兰州 730000

基金项目: 国家自然科学基金资助项目（11320101003，11204243）；西北师范大学物理与电子工程学院物理学科科研创新团队项目资助

通讯作者: 万建杰,E-mail:wanjj@nwnu.edu.cn;马新文,E-mail:x.ma@impcas.ac.cn。

收稿日期: 2019-01-29
修回日期: 2019-02-26
刊出日期: 2019-09-20

中图分类号: O571.6

关键词:

多组态Dirac-Hartree-Fock(MCDHF)方法 /

单激发态 /

双激发态 /

铜原子 /

光电离截面

摘要: 铜原子能级结构的理论计算具有非常大的挑战性。本文基于多组态Dirac-Hartree-Fock（MCDHF）方法和相对论组态相互作用（RCI）方法，通过三个大规模的关联模型计算了单激发态3d¹⁰4p ²P_1/2、双激发态3d⁹4s（³D）5s⁴D_3/2，1/2，3d⁹4s（³D）5s ²D_3/2，3d⁹4s（¹D）5s ²D_3/2以及离子态3d^{10 1}S₀能级和波函数。结果表明，铜原子能级结构对有限组态空间的选择极其敏感，双激发态3d⁹4s（³D）5s ⁴D_3/2，1/2，3d⁹4s（³D）5s ²D_3/2，3d⁹4s（¹D）5s ²D_3/2和离子态3d^{10 1}S₀与单激发态之间的能量差相对于已有实验结果均存在大约-0.4 eV的偏差，而计算得到的共振电子能量与实验结果符合得较好。此外，根据辐射跃迁矩阵元和非辐射跃迁矩阵元计算了双激发态的Fano参数q，并基于Fano理论得到了铜单激发态3d¹⁰4p ²P_1/2的总光电离截面，该理论考虑了直接光电离与光激发自电离之间的干涉效应，即共振3d⁹4s（³D）5s ⁴D_3/2，1/2、3d⁹4s（³D）5s ²D_3/2和3d⁹4s（¹D）5s ²D_3/2具有明显的非对称的Fano轮廓，表明光电离过程与光激发自电离过程之间的干涉对双激发态共振附近的光电离截面轮廓有着极其重要的影响。

English Abstract

Photoionization of Excited State 3d¹⁰4p ²P_1/2 of Cu

1. College of Physics and Electronic Engineering, Northwest Normal University, Lanzhou 730070, China;

2. Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China

Funds: National Natural Science Foundation of China(11320101003, 11204243); Scientific Research Foundation of Physics of CPEE NWNU

Received Date: 2019-01-29
Rev Recd Date: 2019-02-26
Publish Date: 2019-09-20

Keywords:

multiconfiguration Dirac-Hartree-Fock (MCDHF) method /
singly excited state /
doubly excited state /
atomic Cu /
photoionization cross section

Abstract: The calculation of energy level structures is still a challenge for atomic Cu. In the present work, based on the multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) methods, three large-scale correlation models have been used to calculate the energies and wavefunctions of the singly excited state 3d¹⁰4p ²P_1/2, the doubly excited states 3d⁹4s(³D)5s ⁴D_3/2,1/2, 3d⁹4s(³D)5s ²D_3/2, 3d⁹4s(¹D)5s ²D_3/2 and the ionic state 3d^{10 1}S₀. The results show that the calculated level structures of copper are very sensitive to the choice of finite configuration space. All of the energy differences are less than the existing experimental results by about -0.4 eV between the doubly excited states 3d⁹4s(³D)5s ⁴D_3/2,1/2, 3d⁹4s(³D)5s ²D_3/2, 3d⁹4s(¹D)5s ²D_3/2 and the ionic state 3d^{10 1}S₀ with the singly excited state 3d¹⁰4p ²P_1/2, but the calculated resonant electron energies agree well with the experimental results. In addition, according to the radiative and nonradiative transition matrix elements, the Fano parameters q have been calculated for the doubly excited states. Then, the total photoionization cross sections of singly excited state 3d¹⁰4p ²P_1/2 of copper is obtained, where the interference effects can be considered between direct photoionization and photoexcitation autoionization. The resonances 3d⁹4s(³D)5s ⁴D_3/2,1/2, 3d⁹4s(³D)5s ²D_3/2, 3d⁹4s(¹D)5s ²D_3/2 have obvious asymmetrical Fano profiles, which indicates that the interference between photoionization and photoexcitation autoionization has an extremely important influence on the photoionization cross sections near the doubly excited resonances.

顾素洁, 万建杰, 郭娜, 马新文. 铜原子单激发态3d104p 2P1/2的光电离(英文)[J]. 原子核物理评论, 2019, 36(3): 357-366. doi: 10.11804/NuclPhysRev.36.03.357

引用本文:

顾素洁, 万建杰, 郭娜, 马新文. 铜原子单激发态3d¹⁰4p ²P_1/2的光电离(英文)[J]. 原子核物理评论, 2019, 36(3): 357-366. doi: 10.11804/NuclPhysRev.36.03.357

GU Sujie, WAN Jianjie, GUO Na, MA Xinwen. Photoionization of Excited State 3d104p 2P1/2 of Cu[J]. Nuclear Physics Review, 2019, 36(3): 357-366. doi: 10.11804/NuclPhysRev.36.03.357

Citation:

GU Sujie, WAN Jianjie, GUO Na, MA Xinwen. Photoionization of Excited State 3d¹⁰4p ²P_1/2 of Cu[J]. Nuclear Physics Review, 2019, 36(3): 357-366. doi: 10.11804/NuclPhysRev.36.03.357