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本研究采用双电子半经典渐近态强耦合方法, 系统研究了N6+(1s)离子与H(1s)原子碰撞体系在 0.25—225 keV/u 能区内的单电子俘获过程. 计算得到了自旋平均与自旋分辨的总截面、主量子数n分辨以及轨道量子数$n\ell $分辨的截面数据, 并与现有实验结果及多种理论方法的计算结果进行系统对比分析. 计算结果表明, 总截面在低能区对能量依赖性较弱, 而在高能区则呈现单调递减趋势. 态分辨截面分析显示, 低能区各子壳层之间存在显著的多通道耦合效应; 而在中高能区, 截面在轨道量子数$\ell $上的分布趋近于统计规律, 即电子更倾向于被俘获至具有较高$\ell $值的轨道. 研究结果进一步表明, 对高电荷态离子碰撞体系的准确建模需同时考虑高激发态通道间的耦合效应及电子关联作用. 然而, 不同理论方法在低能区表现出显著差异, 说明对进一步开展具备态分辨能力的实验测量有迫切需求. 本工作提供的截面数据, 对天体物理和实验室等离子体的诊断建模研究具有重要参考意义. 本文数据集可在
https://doi.org/10.57760/sciencedb.j00213.00143 中访问获取.In this work, we systematically investigate single-electron capture process in the collision between N6+(1s) ions and H(1s) atoms in a wide energy range from 0.25 to 225 keV/u by using a two-electron semiclassical asymptotic-state close-coupling method. Spin-averaged and spin-resolved total cross sections, as well as n-resolved and $n\ell $-resolved partial cross sections, are calculated and comprehensively compared with existing experimental measurements and theoretical predictions. The results show at low energies (<10 keV/u), energy dependence of the total cross section is weak, and it follows a monotonically decreasing trend at higher energies. The analysis of $n\ell $-resolved cross sections reveals the strong coupling effects between various channels at low energies, while at high energies the relative $\ell $ distributions in each $n\ell $-resolved cross section approximately follow the statistical $\ell $ distribution, for which the electrons are therefore mainly captured into subshells of the maximum $\ell $. The present study demonstrates the importance of a two-electron treatment taking into account electronic correlation and the use of extended basis sets in the close-coupling scheme. However, substantial discrepancies exist among theoretical approaches at low energies. It is clear that further experimental and theoretical efforts are required to draw definite conclusions. Our work provides a complete and consistent set of cross sections in a broad range of collision energies, which can be used for various plasma diagnosis and modeling. The datasets presented in this paper are openly available athttps://doi.org/10.57760/sciencedb.j00213.00143 .-
Keywords:
- charge transfer /
- ion-atom collisions /
- electron correlations
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图 1 N6+(1s)与H(1s)碰撞自旋态平均单电子俘获总截面随碰撞能量的变化, 以及当前结果同已有的实验数据[31,32,43]和理论计算[35–38]的对比
Fig. 1. Spin-averaged total single-electron capture cross sections as a function of collision energy for N6+(1s) + H(1s) collisions. Present results are compared with experimental data[31,32,43] and theoretical calculations[35–38].
图 2 N6+(1s)与H (1s)碰撞自旋平均的主量子数n分辨单电子俘获截面随碰撞能量的变化, 以及当前结果同已有理论计算[36,37]对比 (a) n = 3; (b) n = 4; (c) n = 5
Fig. 2. Spin-averaged n-resolved single-electron capture cross sections as a function of collision energy for N6+(1s) + H(1s) collisions: (a) n = 3, (b) n = 4, (c) n = 5. Present results are compared with theoretical calculations[36,37].
图 3 N6+(1s)与H(1s)碰撞中自旋平均的轨道量子数$n\ell $分辨单电子俘获截面随碰撞能量的变化, 以及本工作计算结果同已有的理论计算[36,37]对比 (a) $3\ell $态; (b) $4\ell $态; (c) $5\ell $态
Fig. 3. Spin-averaged $n\ell $-resolved single-electron capture cross sections as a function of collision energy for N6+(1s) + H(1s) collisions: (a) $3\ell $; (b) $4\ell $; (c) $5\ell $. Present results are compared with theoretical calculations[36,37].
表 1 不同碰撞能量E (单位: keV/u)下, N6+(1s)离子与H(1s)原子碰撞自旋平均的单电子俘获总截面和俘获至N5+(1s$n\ell $)态分辨截面(单位: 10–16 cm2)
Table 1. Spin-averaged total single-electron capture cross sections and state-resolved cross sections for capture into N5+ (1s$n\ell $) states in N6+(1s) + H(1s) collisions at various collision energies E (unit: keV/u). All cross sections are given in units of 10–16 cm2.
E 1s3s 1s3p 1s3d 1s4s 1s4p 1s4d 1s4f 1s5s 1s5p 1s5d 1s5f 1s5g 总截面 0.25 0.0002 0.0002 0.0002 3.7648 12.7027 8.5685 13.3494 0.1747 0.6930 0.9648 0.4290 2.0774 42.7323 0.56 0.0002 0.0007 0.0013 6.4063 10.4408 5.2656 13.6226 0.2466 1.9896 0.9673 1.0273 1.4035 41.4063 1.00 0.0023 0.0054 0.0108 9.2673 9.5404 5.9963 11.9886 0.8304 0.9395 1.0427 1.9539 0.9143 42.5571 2.25 0.0273 0.0799 0.1115 7.5560 8.9939 7.4811 12.8323 0.6563 0.4619 0.4968 2.3590 2.3944 43.5764 4.00 0.0927 0.4714 0.2950 5.7645 8.3648 9.1302 12.2192 0.3532 0.4350 0.7830 2.5118 3.1321 43.8349 6.25 0.2357 0.6419 0.4629 3.3885 6.5808 10.4578 13.2696 0.4157 0.8553 0.9404 2.9255 4.2443 44.7038 9.00 0.3394 0.6624 0.5941 1.8598 4.7615 9.9354 14.5785 0.2967 0.7135 1.1683 2.7464 5.8699 43.8333 16.00 0.3529 0.9129 1.1518 0.6615 2.6646 7.6238 14.9072 0.1737 0.5804 1.4345 2.9620 5.9363 39.9444 25.00 0.3508 1.0430 1.6138 0.3115 1.5698 4.7657 12.1202 0.1464 0.5298 1.3658 3.1366 5.4187 33.7083 36.00 0.2659 0.9920 1.7688 0.1915 0.9180 2.7773 8.3503 0.1050 0.4919 1.1551 2.9266 4.6950 27.5872 56.25 0.1245 0.5889 1.5077 0.0920 0.4132 1.1599 4.1918 0.0741 0.4061 0.7697 2.0000 2.7565 19.0517 100.00 0.0250 0.1622 0.6719 0.0243 0.1261 0.4415 0.9926 0.0292 0.1383 0.3505 0.7732 0.6489 6.8768 156.25 0.0103 0.0393 0.2537 0.0096 0.0326 0.1687 0.1934 0.0105 0.0340 0.1390 0.2303 0.1001 1.8768 225.00 0.0035 0.0209 0.0742 0.0026 0.0170 0.0480 0.0392 0.0022 0.0130 0.0392 0.0594 0.0148 0.5114 
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表 2 不同碰撞能量E (单位: keV/u)下, N6+(1s)离子与H(1s)原子碰撞自旋单重态下的单电子俘获总截面和俘获至N5+(1s$n\ell $ 1L)态分辨截面(单位: 10–16 cm2)
Table 2. Spin-singlet total single-electron capture cross sections and state-resolved cross sections for capture into N5+(1s$n\ell $ 1L) states in N6+(1s) + H(1s) collisions at various collision energies E (unit: keV/u). All cross sections are given in units of 10–16 cm2.
E 1s3s 1S 1s3p 1P 1s3d 1D 1s4s 1S 1s4p 1P 1s4d 1D 1s4f 1F 1s5s 1S 1s5p 1P 1s5d 1D 1s5f 1F 1s5g 1G 总截面1L 0.25 0.0001 0.0002 0.0002 4.9841 4.1948 6.0168 13.7765 0.1364 1.1173 0.7492 0.4985 3.0177 34.5024 0.56 0.0003 0.0010 0.0013 6.6345 3.7956 8.0072 13.0620 0.3696 1.9096 1.1744 1.0736 1.6679 37.7347 1.00 0.0023 0.0073 0.0076 8.8291 4.8926 9.4065 12.8317 0.9635 1.1060 0.8840 1.9907 0.9559 41.9406 2.25 0.0314 0.0879 0.0599 6.6027 5.3151 11.9836 14.0620 0.6144 0.5642 0.4328 2.4516 2.4166 44.7399 4.00 0.1416 0.4313 0.2924 5.0184 5.9133 12.5596 13.2306 0.2941 0.4484 0.7915 2.4992 3.1441 45.0342 6.25 0.3049 0.6447 0.4420 2.8775 5.0788 12.7611 14.0163 0.3535 0.7570 0.9597 2.8547 4.2684 45.5828 9.00 0.3949 0.7666 0.6046 1.5960 3.9072 11.1796 15.1420 0.2527 0.6901 1.1460 2.6755 5.7122 44.3560 16.00 0.3889 1.0895 1.2582 0.5916 2.5040 7.9453 14.9587 0.1480 0.6129 1.3966 2.9507 5.7149 40.1231 25.00 0.3696 1.1997 1.7008 0.2885 1.6088 4.8367 11.9200 0.1366 0.5699 1.3379 3.0703 5.4103 33.7599 36.00 0.2757 1.1118 1.8295 0.1861 0.9715 2.7831 8.2105 0.0998 0.5225 1.1366 2.8470 4.7282 27.6453 56.25 0.1240 0.6285 1.5212 0.0906 0.4484 1.1474 4.1679 0.0700 0.4274 0.7624 1.9865 2.7557 19.0999 100.00 0.0249 0.1684 0.6648 0.0245 0.1309 0.4330 0.9952 0.0297 0.1417 0.3476 0.7773 0.6477 6.8638 156.25 0.0101 0.0413 0.2503 0.0092 0.0340 0.1657 0.1940 0.0101 0.0347 0.1368 0.2312 0.1003 1.8767 225.00 0.0033 0.0222 0.0735 0.0024 0.0180 0.0474 0.0392 0.0021 0.0136 0.0387 0.0594 0.0148 0.5149
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表 3 不同碰撞能量E (单位: keV/u)下, N6+(1s)离子与H(1s)原子碰撞自旋三重态下的单电子俘获总截面和俘获至N5+(1s$n\ell $ 3L)态分辨截面(单位:10–16 cm2)
Table 3. Spin-triplet total single-electron capture cross sections and state-resolved cross sections for capture into N5+(1s$n\ell $ 3L) states in N6+(1s) + H(1s) collisions at various collision energies E (unit: keV/u). All cross sections are given in units of 10–16 cm2.
E 1s3s 3S 1s3p 3P 1s3d 3D 1s4s 3S 1s4p 3P 1s4d 3D 1s4f 3F 1s5s 3S 1s5p 3P 1s5d 3D 1s5f 3F 1s5g 3G 总截面3L 0.25 0.0002 0.0002 0.0002 3.3584 15.5386 9.4191 13.2070 0.1875 0.5515 1.0366 0.4058 1.7640 45.4756 0.56 0.0002 0.0006 0.0013 6.3302 12.6558 4.3517 13.8094 0.2056 2.0162 0.8983 1.0119 1.3154 42.6301 1.00 0.0022 0.0048 0.0119 9.4133 11.0897 4.8596 11.7075 0.7860 0.8840 1.0955 1.9416 0.9004 42.7626 2.25 0.0260 0.0772 0.1287 7.8738 10.2202 5.9803 12.4224 0.6703 0.4279 0.5181 2.3282 2.3870 43.1886 4.00 0.0764 0.4847 0.2958 6.0132 9.1819 7.9870 11.8821 0.3729 0.4305 0.7801 2.5160 3.1281 43.4352 6.25 0.2126 0.6409 0.4699 3.5588 7.0815 9.6901 13.0207 0.4365 0.8881 0.9340 2.9492 4.2362 44.4108 9.00 0.3208 0.6277 0.5906 1.9477 5.0463 9.5207 14.3906 0.3114 0.7213 1.1757 2.7700 5.9224 43.6591 16.00 0.3409 0.8540 1.1163 0.6848 2.7181 7.5166 14.8900 0.1822 0.5696 1.4472 2.9658 6.0101 39.8848 25.00 0.3445 0.9908 1.5849 0.3192 1.5568 4.7420 12.1870 0.1497 0.5165 1.3750 3.1587 5.4216 33.6911 36.00 0.2626 0.9520 1.7486 0.1933 0.9002 2.7754 8.3969 0.1067 0.4817 1.1613 2.9532 4.6839 27.5678 56.25 0.1247 0.5757 1.5031 0.0924 0.4014 1.1641 4.1998 0.0755 0.3991 0.7721 2.0045 2.7568 19.0356 100.00 0.0250 0.1601 0.6743 0.0243 0.1245 0.4443 0.9917 0.0290 0.1372 0.3515 0.7718 0.6493 6.8811 156.25 0.0104 0.0387 0.2549 0.0098 0.0321 0.1697 0.1932 0.0106 0.0338 0.1398 0.2300 0.1001 1.8769 225.00 0.0036 0.0204 0.0745 0.0027 0.0167 0.0482 0.0392 0.0023 0.0127 0.0394 0.0595 0.0148 0.5102
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Google Scholar
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Google Scholar
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Google Scholar
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