Charge transfer cross sections of collisions of N<sup>3+</sup> ions with He atoms in low energy region

LIN Xiaohe; LIN Minjuan; WANG Kun; WU Yong; REN Yuan; WANG Yu; LI Jiewei

doi:10.7498/aps.74.20250581

Abstract

The collision process between N³⁺ ions and He atoms is of great significance in astrophysics, interstellar space and laboratory plasma environment. The single- and double-charge transfer processes for the collisions of N³⁺ with He atoms are studied by using the quantum-mechanical molecular-orbital close-coupling (QMOCC) method. The ab initio multireference single- and double-excitation configuration interaction (MRD-CI) methods are employed to obtain the adiabatic potentials and the radial and rotational coupling matrix elements that are required in the QMOCC calculation. In the present QMOCC calculations, 10 ¹Σ states, 8 ¹Π states and 4 ¹Δ states are considered, and total single- and double-charge transfer cross sections and state selection cross sections are calculated in an energy region from 3.16 × 10^–3 eV–24 keV (i.e., 2.25 × 10^–4 eV/u–1.73 keV/u). Comparison of our results with the previous theoretical and experimental results shows that our results agree well with the experimental values for the total double-charge transfer (DCT) cross sections. For the total single-charge transfer (SCT) cross sections, our QMOCC results are slightly higher than the experimental results in an energy region of 0.2–11 eV/u. When the energy is higher than 11 eV/u, the present QMOCC results are in good agreement with the experimental results. The total SCT cross section is significantly larger than the total DCT cross section, so SCT process is a dominant reaction process. For the SCT process, it can be observed that the charge transfer to N²⁺(2s2p² ²D) and N²⁺(2s²2p ²P°) is very important. It should be noted that although we and Liu et al. (Phys. Rev. A 2011 84 042706) both used the QMOCC method to study the charge transfer cross section, our calculation results are still significantly different from their calculation results. It is due to the fact that Liu et al.’s calculations only considered 10 ¹Σ states and 8 ¹Π states, and ignored the effect of ¹Δ states.The datasets presented in this paper are openly available at https://doi.org/10.57760/sciencedb.j00213.00165.

Keywords:

Authors and contacts

1.
Space Engineering University, Beijing 101416, China
2.
College of Science, College of Science, Qiqihar University, Qiqihar 161006, China
3.
National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
4.
School of Applied Science, Taiyuan University of Science and Technology, Taiyuan 030024, China
5.
Institute of Environmental Science, Shanxi University, Taiyuan 030006, China
6.
Chongqing Polytechnic Institute, Chongqing 410320, China

Corresponding author: WANG Yu, wangy@tyust.edu.cn

Funds: Project supported by the National Natural Science Foundation of China (Grant Nos. 12203106, 12204288).

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References

[1]	朱宇豪, 袁翔, 吴勇, 王建国 2023 物理学报 72 163401 Google Scholar Zhu Y H, Yuan X, Wu Y, Wang J G 2023 Acta Phys. Sin. 72 163401 Google Scholar
[2]	刘春华 2009 博士学位论文 (北京: 中国科学院大学) Liu C H 2009 Ph. D. Dissertation (Beijing: University of the Chinese Academy of Sciences
[3]	高志民, 陈熙萌, 刘兆远, 丁宝卫, 鲁彦霞, 付宏斌, 刘玉文, 杜娟, 崔莹, 邵剑雄, 张红强, 孙光智 2007 物理学报 56 2079 Google Scholar Gao Z M, Chen X M, Liu Z Y, Ding B W, Lu Y X, Fu H B, Liu Y W, Du J, Cui Y, Shao J X, Zhang H Q, Sun G Z 2007 Acta Phys. Sin. 56 2079 Google Scholar
[4]	林晓贺 2019 博士学位论文 (北京: 北京理工大学) Lin X H 2019 Ph. D. Dissertation (Beijing: Beijing Institute of Technology
[5]	Rice J E, Marmar E S, Terry J L, Källne E, Källne J 1986 Phys. Rev. Lett. 56 50 Google Scholar
[6]	Steigman G 1975 Astrophys J. 199 642 Google Scholar
[7]	Liu X J, Wang J G, Qu Y Z, Buenker R J 2011 Phys. Rev. A 84 042706 Google Scholar
[8]	Mondal M, Mandal B, Mistry T, Jana D, Purkait M 2024 Chin. Phys. B 33 113401 Google Scholar
[9]	Kamber E Y, Akgüngör K, Leather C, Brenton A G 1996 Phys. Rev. A 54 1452 Google Scholar
[10]	Ishii K, Itoh A, Okuno K 2004 Phys. Rev. A 70 042716 Google Scholar
[11]	Gardner L D, Bayﬁeld J E, Koch P M, et al. 1979 Phys. Rev. A 20 766 Google Scholar
[12]	Xu J W, Zhu X L, Feng W T, et al. 2019 X-Ray Spectrometry 49 85 Google Scholar
[13]	Lin M J, Li R, Lin X H, Ren X H 2024 IEEE Academic International Symposium on Optoelectronics and Micro electronics Technology (AISOMT) Harbin, China, November 21–22, 2024 p139
[14]	Buenker R J, Liebermann H P, Izgorodina E I 2003 Chem. Phys. 291 115 Google Scholar
[15]	Buenker R J, Peyerimhoff S D 1974 Theoret. Chim. Acta 35 33 Google Scholar
[16]	Krebs S, Buenker R J 1995 J. Chem. Phys. 103 5613 Google Scholar
[17]	吴勇, 刘玲, 王建国 2008 物理学报 57 947 Google Scholar Wu Y, Liu L, Wang J G 2008 Acta Phys. Sin. 57 947 Google Scholar
[18]	Nolte J L, Stancil P C, Liebermann H P, Buenker R J, Hui Y, Schultz D R 2012 J. Phys. B: At. Mol. Opt. Phys. 45 245202 Google Scholar
[19]	Zygelman B, Cooper D L, Ford M J, Dalgarno A, Gerratt J, Raimondi M 1992 Phys. Rev. A 46 3846 Google Scholar
[20]	Wu Y, Stancil P C, Liebermann H P, et al. 2011 Phys. Rev. A 84 022711 Google Scholar
[21]	Kramida, A, Ralchenko Y, Reader J, NIST ASD Team 2024 NIST Atomic Spectra Database (Ver. 5.12) [2025-4-29]
[22]	Errea L F, Mendez L, Riera A 1982 J. Phys. B 15 101 Google Scholar
[23]	Bacchus M C, Ceyzeriat P 1998 Phys. Rev. A 58 1162 Google Scholar
[24]	Errea L F, Harel C, Jouini H, et al 1994 J. Phys. B 27 3603 Google Scholar
[25]	Wang K, Dong C, Qu Y Z, et al. 2023 Chin. Phys. B 32 083103 Google Scholar
[26]	Wang K, Wang X X, Qu Y Z, Liu C H, Liu L, Wu Y, Buenker R J 2020 Chin. Phys. Lett. 37 023401 Google Scholar

Cited By

图 1 NHe³⁺碰撞体系单重态的绝热势能曲线

Figure 1. Adiabatic potential curves of the singlet of NHe³⁺ collision system.

DownLoad: Full-Size Img PowerPoint

图 2 NHe³⁺碰撞体系单重态相邻两¹Σ态间的径向耦合矩阵元

Figure 2. Radial coupling matrix elements between the adjacent ¹Σ states for NHe³⁺ collision system.

DownLoad: Full-Size Img PowerPoint

图 3 NHe³⁺碰撞体系单重态相邻两¹Π态间的径向耦合矩阵元

Figure 3. Radial coupling matrix elements between the adjacent ¹Π states for NHe³⁺ collision system.

DownLoad: Full-Size Img PowerPoint

图 4 NHe³⁺碰撞体系单重态相邻两¹Δ态间的径向耦合矩阵元

Figure 4. Radial coupling matrix elements between the adjacent ¹Δ states for NHe³⁺ collision system.

DownLoad: Full-Size Img PowerPoint

图 5 NHe³⁺碰撞体系单重态部分重要的转动耦合矩阵元

Figure 5. Some important singlet rotational coupling matrix elements for NHe³⁺ collision system.

DownLoad: Full-Size Img PowerPoint

图 6 N³⁺离子与基态He原子碰撞总的单、双电荷转移截面

Figure 6. Total single and double charge transfer cross sections in N³⁺-He collisions.

DownLoad: Full-Size Img PowerPoint

图 7 N³⁺离子与基态He原子碰撞电荷转移形成N⁺离子的态选择截面

Figure 7. State selective cross sections for charge transfer to N⁺ ion in N³⁺-He collisions.

DownLoad: Full-Size Img PowerPoint

图 8 N³⁺离子与基态He原子碰撞电荷转移形成N²⁺离子的态选择截面

Figure 8. State selective cross sections for charge transfer to N²⁺ ion in N³⁺-He collisions.

DownLoad: Full-Size Img PowerPoint

表 1 NHe³⁺单重态渐近区各能级与NIST表^[21]中结果的对比

Table 1. Compared the energy levels in the asymptotic region of the singlet state of NHe³⁺ with the results in NIST^[21]

渐进原子态	分子态	Energy/eV
渐进原子态	分子态	MRD-CI	NIST^[21]	Errors
N²⁺(2s²2p ²P^o)+He⁺(1s)	1¹Σ, 1¹Π	0.0000	0.0000	0.0000
N²⁺(2s 2p² ²D)+He⁺(1s)	2¹Σ, 1¹Δ, 2¹Π	12.5087	12.5254	0.0167
N²⁺(2s2p² ²P)+He⁺(1s)	3¹Π	18.0958	18.0863	0.0095
N²⁺(2s2p² ²S)+He⁺(1s)	3¹Σ	16.2564	16.2425	0.0139
N³⁺(2s² ¹S)+He(1s²)	4¹Σ	22.8803	22.8579	0.0224
N²⁺((2p³ ²D^o)+He⁺(1s)	4¹Π, 2¹Δ	25.1239	25.1780	0.0541
N⁺(2s²2p² ¹D)+He²⁺	5¹Σ, 5¹Π, 3¹Δ	26.7503	26.7150	0.0353
N²⁺(2s²3s ²S)+He⁺(1s)	6¹Σ	27.4341	37.4380	0.0039
N²⁺(²p³ ²P^o)+He⁺(1s)	7¹Σ, 6¹Π	28.5454	28.5665	0.0211
N⁺(2s²2p² ¹S)+He²⁺	8¹Σ	28.9204	28.8690	0.0514
N²⁺(2s²3p ²P^o)+He⁺(1s)	9¹Σ, 7¹Π	30.4405	30.4586	0.0181
N²⁺(2s²3d ²D)+He⁺(1s)	10¹Σ, 8¹Π, 4¹Δ	33.1233	33.1333	0.0100
N²⁺(2s2p3s ²P^o)+He⁺(1s)	11¹Σ, 9¹Π	36.8428	36.8421	0.0007
N²⁺(2s2p3p ²P)+He⁺(1s)	10¹Π	38.2795	38.3274	0.0479

DownLoad: CSV

[1]	朱宇豪, 袁翔, 吴勇, 王建国 2023 物理学报 72 163401 Google Scholar Zhu Y H, Yuan X, Wu Y, Wang J G 2023 Acta Phys. Sin. 72 163401 Google Scholar
[2]	刘春华 2009 博士学位论文 (北京: 中国科学院大学) Liu C H 2009 Ph. D. Dissertation (Beijing: University of the Chinese Academy of Sciences
[3]	高志民, 陈熙萌, 刘兆远, 丁宝卫, 鲁彦霞, 付宏斌, 刘玉文, 杜娟, 崔莹, 邵剑雄, 张红强, 孙光智 2007 物理学报 56 2079 Google Scholar Gao Z M, Chen X M, Liu Z Y, Ding B W, Lu Y X, Fu H B, Liu Y W, Du J, Cui Y, Shao J X, Zhang H Q, Sun G Z 2007 Acta Phys. Sin. 56 2079 Google Scholar
[4]	林晓贺 2019 博士学位论文 (北京: 北京理工大学) Lin X H 2019 Ph. D. Dissertation (Beijing: Beijing Institute of Technology
[5]	Rice J E, Marmar E S, Terry J L, Källne E, Källne J 1986 Phys. Rev. Lett. 56 50 Google Scholar
[6]	Steigman G 1975 Astrophys J. 199 642 Google Scholar
[7]	Liu X J, Wang J G, Qu Y Z, Buenker R J 2011 Phys. Rev. A 84 042706 Google Scholar
[8]	Mondal M, Mandal B, Mistry T, Jana D, Purkait M 2024 Chin. Phys. B 33 113401 Google Scholar
[9]	Kamber E Y, Akgüngör K, Leather C, Brenton A G 1996 Phys. Rev. A 54 1452 Google Scholar
[10]	Ishii K, Itoh A, Okuno K 2004 Phys. Rev. A 70 042716 Google Scholar
[11]	Gardner L D, Bayﬁeld J E, Koch P M, et al. 1979 Phys. Rev. A 20 766 Google Scholar
[12]	Xu J W, Zhu X L, Feng W T, et al. 2019 X-Ray Spectrometry 49 85 Google Scholar
[13]	Lin M J, Li R, Lin X H, Ren X H 2024 IEEE Academic International Symposium on Optoelectronics and Micro electronics Technology (AISOMT) Harbin, China, November 21–22, 2024 p139
[14]	Buenker R J, Liebermann H P, Izgorodina E I 2003 Chem. Phys. 291 115 Google Scholar
[15]	Buenker R J, Peyerimhoff S D 1974 Theoret. Chim. Acta 35 33 Google Scholar
[16]	Krebs S, Buenker R J 1995 J. Chem. Phys. 103 5613 Google Scholar
[17]	吴勇, 刘玲, 王建国 2008 物理学报 57 947 Google Scholar Wu Y, Liu L, Wang J G 2008 Acta Phys. Sin. 57 947 Google Scholar
[18]	Nolte J L, Stancil P C, Liebermann H P, Buenker R J, Hui Y, Schultz D R 2012 J. Phys. B: At. Mol. Opt. Phys. 45 245202 Google Scholar
[19]	Zygelman B, Cooper D L, Ford M J, Dalgarno A, Gerratt J, Raimondi M 1992 Phys. Rev. A 46 3846 Google Scholar
[20]	Wu Y, Stancil P C, Liebermann H P, et al. 2011 Phys. Rev. A 84 022711 Google Scholar
[21]	Kramida, A, Ralchenko Y, Reader J, NIST ASD Team 2024 NIST Atomic Spectra Database (Ver. 5.12) [2025-4-29]
[22]	Errea L F, Mendez L, Riera A 1982 J. Phys. B 15 101 Google Scholar
[23]	Bacchus M C, Ceyzeriat P 1998 Phys. Rev. A 58 1162 Google Scholar
[24]	Errea L F, Harel C, Jouini H, et al 1994 J. Phys. B 27 3603 Google Scholar
[25]	Wang K, Dong C, Qu Y Z, et al. 2023 Chin. Phys. B 32 083103 Google Scholar
[26]	Wang K, Wang X X, Qu Y Z, Liu C H, Liu L, Wu Y, Buenker R J 2020 Chin. Phys. Lett. 37 023401 Google Scholar

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Charge transfer cross sections of collisions of N³⁺ ions with He atoms in low energy region

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Corresponding author: WANG Yu, wangy@tyust.edu.cn

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Charge transfer cross sections of collisions of N3+ ions with He atoms in low energy region

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Corresponding author: WANG Yu, wangy@tyust.edu.cn

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Charge transfer cross sections of collisions of N³⁺ ions with He atoms in low energy region