Molecular opacities of <inline-formula><tex-math id="Z-20221003130318">\begin{document}$ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="19-20220734_Z-20221003130318.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="19-20220734_Z-20221003130318.png"/></alternatives></inline-formula>, A<sup>2</sup>Π<sub>u</sub> and <inline-formula><tex-math id="Z-20221003130305">\begin{document}$ {{\text{B}}^{2}}{\Sigma}_{\text{u}}^{+} $\end{document}</tex-math><alternatives><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="19-20220734_Z-20221003130305.jpg"/><graphic xmlns:xlink="http://www.w3.org/1999/xlink" xlink:href="19-20220734_Z-20221003130305.png"/></alternatives></inline-formula>  states of nitrogen cation

Chen Chen; Zhao Guo-Peng; Qi Yue-Ying; Wu Yong; Wang Jian-Guo

doi:10.7498/aps.71.20220734

Abstract

The potential curves, spectroscopic constants and dipole moments for $ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $, A²Π_u and $ {{\text{B}}^{2}}{\Sigma}_{\text{u}}^{+} $ state of $ {\text{N}}_{2}^{+} $ are calculated by the internal contraction multi reference configuration interaction (icMRCI) method, with Davidson correction taken into consideration. According to the results of molecular structures, we present the partition function in a temperature range of 100–40000 K and the opacities at different temperatures (295, 500, 1000, 2000, 2500, 5000 and 10000 K) under a fixed pressure of 100 atm. It is found that the populations of excited states increase with temperature increasing, as a result, the wavelength range of opacity also increases and band boundaries for different transitions gradually become obscure. In comparison with the cases of N₂ with the same pressure and temperature, significant discrepancies are found in the wavelength ranges and structures of opacity of $ {\text{N}}_{2}^{+} $ for the present work. The influence of temperature on the opacity of $ {\text{N}}_{2}^{+} $ is studied systematically in the present work, which is expected to provide theoretical and data support for astrophysics.

Keywords:

Authors and contacts

1.
Institute of Modern Physics, Fudan University, Shanghai 200433, China
2.
College of Data Science, Jiaxing University, Jiaxing 314001, China
3.
National Key Laboratory of Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088, China
4.
HEDPS, Center for Applied Physics and Technology, and College of Engineering, Peking University, Beijing 100871, China

Corresponding author: Zhao Guo-Peng, guopengzhao@zjxu.edu.cn ; Qi Yue-Ying, yying_qi@zjxu.edu.cn ; Wu Yong, wu_yong@iapcm.ac.cn ;

Funds: Project supported by the National Key Research and Development Program of China (Grant No. 2017YFA0403200) and the National Natural Science Foundation of China (Grant No. 12105119).

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References

[1]	Cravens T E, Robertson I P, Waite J H, Yelle R V, Kasprzak W T, Keller C N, Ledvina S A, Niemann H B, Luhmann J G, McNutt R L, Ip W H, Haya V D L, Wodarg M, Wahlund J E, Anicich V G, Vuitton V 2006 Geophys. Res. Lett. 33 L07105 Google Scholar
[2]	Dutuit O, Carrasco N, Thissen R, Vuitton V, Alcaraz C, Pernot P, Lavvas P 2013 Astrophys. J. Suppl. Ser. 204 20 Google Scholar
[3]	Scherf M, Lammer H, Erkaev N V, Mandt K E, Thaller S E, Marty B 2020 Space Sci. Rev. 216 1 Google Scholar
[4]	Bruna P J, Grein F 2008 J. Mol. Spectrosc. 250 75 Google Scholar
[5]	Erkaev N V, Scherf M, Thaller S E, Lammer H, Mezentsev A V, Ivanov V A, Mandt K E 2021 Mon. Not. R. Astron. Soc. 500 2020 Google Scholar
[6]	Opitom C, Hutsemékers D, Jehin E, Rousselot P, Pozuelos F J, Manfroid J, Moulane Y, Gillon M, Benkhaldoun Z 2019 Astron. Astrophys. 624 A64 Google Scholar
[7]	Jenniskens P, Laux C O, Schaller E L 2004 Astrobiology 4 109 Google Scholar
[8]	Abe S, Ebizuka N, Yano H, Watanabe J I, Borovička J 2005 Astrophys. J. 618 L141 Google Scholar
[9]	Ho W C, Jäger W, Cramb D C, Ozier I, Gerry M C L 1992 J. Mol. Spectrosc. 153 692 Google Scholar
[10]	Shi D H, Xing W, Sun J F, Zhu Z L, Liu Y F 2011 Comput. Theor. Chem. 966 44 Google Scholar
[11]	Huffman R E, Larrabee J C, Tanaka Y 1964 Disc. Faraday Soc. 37 159 Google Scholar
[12]	Bruna P J, Grein F 2004 J. Mol. Spectrosc. 227 67 Google Scholar
[13]	Sinhal M 2021 Ph. D. Dissertation (Basel: University of Basel)
[14]	Fassbender M 1924 Z. Phys. 30 73
[15]	Childs W H J 1932 Proc. Roy. Soc. 137 641 Google Scholar
[16]	Meinel A B 1950 Astrophys. J. 112 562 Google Scholar
[17]	Dalby F W, Douglas A E 1951 Phys. Rev. 84 843 Google Scholar
[18]	Lofthus A, Krupenie P H 1977 J. Phys. Chem Ref. Data 6 113 Google Scholar
[19]	Dick K A, Benesch W, Crosswhite H M, Tilford S G, Gottscho R A, Field R W 1978 J. Mol. Spectrosc. 69 95 Google Scholar
[20]	Gudeman C S, Saykally R J 1984 Annu. Rev. Phys. Chem. 35 387 Google Scholar
[21]	Miller T A, Suzuki T, Hirota E 1984 J. Chem. Phys. 80 4671 Google Scholar
[22]	Wu S H, Chen Y Q, Zhuang H, Yang X H, Bi Z Y, Ma L S, L Y Y 2001 J. Mol. Spectrosc. 209 133 Google Scholar
[23]	Moon S Y, Choe W 2003 Spectrochim. Acta Part B 58 249 Google Scholar
[24]	Zhang Y P, Deng L H, Zhang J, Chen Y Q 2015 Chin. J. Chem. Phys. 28 134 Google Scholar
[25]	Nishiyama T, Taguchi M, Suzuki H, Dalin P, Ogawa Y, Brandstron U, Sakanoi T 2021 Earth Planets Space 73 30 Google Scholar
[26]	Chauveau S, Perrin M Y, Riviere P, Soufiani A 2002 J. Quant. Spectrosc. Radiat. Transfer 72 503 Google Scholar
[27]	Yan B, Feng W 2010 Chin. Phys. B 19 033303 Google Scholar
[28]	Peyrou B, Chemartin L, Lalande P, Chéron B G, Riviere P, Perrin M Y, Soufiani A 2012 J. Phys. D:Appl. Phys. 45 455203 Google Scholar
[29]	Liu H, Shi D H, Wang S, Sun J F, Zhu Z L 2014 J. Quant. Spectrosc. Radiat. Transfer 147 207 Google Scholar
[30]	Qin Z, Zhao J M, Liu L H 2017 J. Quant. Spectrosc. Radiat. Transfer 202 2 Google Scholar
[31]	Liang R H, Liu Y M, Li F Y 2021 Phys. Scr. 96 125402 Google Scholar
[32]	Liang R H, Liu Y M, Li F Y 2021 Contrib. Plasma Phys. 61 e2021000366 Google Scholar
[33]	Liang R H, Liu Y M, Li F Y 2021 J. Appl. Phys. 130 063303 Google Scholar
[34]	马文, 靳奉涛, 袁建民 2007 56 5709 Google Scholar Ma W, Jin F T, Yuan J M 2007 Acta Phys. Sin. 56 5709 Google Scholar
[35]	Lin X H, Liang G Y, Wang J G, Peng Y G, Shao B, Li R, Wu Y 2019 Chin. Phys. B 28 053101 Google Scholar
[36]	Liang G Y, Peng Y G, Li R, Wu Y, Wang J G 2020 Chin. Phys. B 29 023101 Google Scholar
[37]	Liang G Y, Peng Y G, Li R, Wu Y, Wang J G 2020 Chin. Phys. Lett. 37 123101 Google Scholar
[38]	Li R, Liang G Y, Lin X H, Zhu Y H, Zhao S T, Wu Y 2019 Chin. Phys. B 28 043102 Google Scholar
[39]	Xu X S, Dai A Q, Peng Y G, Wu Y, Wang J G 2018 J. Quant. Spectrosc. Radiat. Transfer 206 172 Google Scholar
[40]	Slipher V M 1933 Mon. Not. R. Astron. Soc. 93 657 Google Scholar
[41]	Feldman P D 1973 J. Geophys. Res. 78 2010 Google Scholar
[42]	Langhoff S R, Bauschlicher C W 1988 J. Chem. Phys. 88 329 Google Scholar
[43]	Langhoff S R, Bauschlicher C W, Partridge H 1987 J. Chem. Phys. 87 4716 Google Scholar
[44]	Weck P F, Schweitzer A, Kirby K, Hauschildt P H, Stancil P C 2004 Astrophys J. 613 567 Google Scholar
[45]	陈晨,赵国鹏,祁月盈,吴勇,王建国 2022 71 143102 Google Scholar Chen C, Zhao G P, Qi Y Y, Wu Y, Wang J G 2022 Acta Phys. Sin. 71 143102 Google Scholar
[46]	Woon D E, Dunning T H. 1995 J. Chem. Phys. 103 4572 Google Scholar
[47]	Werner H J and Meyer W 1980 J. Chem. Phys. 73 2342 Google Scholar
[48]	Langhoff S R, Davidson E R 1974 Int. J. Quantum Chem. 8 61 Google Scholar
[49]	Werner H J, Knowles P J 1988 J. Chem. Phys. 89 5803 Google Scholar
[50]	Werner H J, Knowles P J, Manby F R, Schütz M, Celani P, Knizia G, Korona T, Lindh R, Mitrushenkov A, Rauhut G 2010 MOLPRO: a Package of ab initio Programs
[51]	Thulstrup E W, Andersen A 1975 J. Phys. B:Atom. Mol. Phys. 8 965 Google Scholar
[52]	Zhang Y, Hanson D M 1986 Chem. Phys. Lett. 127 33 Google Scholar
[53]	Berning A, Werner H J 1994 J. Chem. Phys. 100 1953 Google Scholar
[54]	Li X Z, Paldus J 2000 Mol. Phys. 98 1185 Google Scholar
[55]	Spelsberg D, Meyer W 2001 J. Chem. Phys. 115 6438 Google Scholar
[56]	Bruna P J, Grein F 2008 J. Molecular Spectroscopy 250 75
[57]	Li X Z, Paldus J 2009 Phys. Chem. Chem. Phys. 11 5281 Google Scholar
[58]	Langhoff S R, Bauschlicher Jr C W 1988 J. Chemical Physics 88 329
[59]	Bernath P F, Dalgarno A 1996 Phys. Today 49 94

Cited By

图 1 $ {\rm{N}}_{2}^{+} $ 的$ {{\rm{X}}^{2}}{\Sigma}_{\rm{g}}^{+} $, $ {{\rm{A}}^{2}}{{{\Pi }}_{\rm{u}}} $和$ {{\rm{B}}^{2}}{\Sigma}_{\rm{u}}^{+} $态的势能曲线

Figure 1. Potential energy curves for the $ {{\rm{X}}^{2}}{\Sigma}_{\rm{g}}^{+} $, $ {{\rm{A}}^{2}}{{{\Pi }}_{\rm{u}}} $ and $ {{\rm{B}}^{2}}{\Sigma}_{\rm{u}}^{+} $ states of $ {\rm{N}}_{2}^{+} $.

DownLoad: Full-Size Img PowerPoint

图 2 $ {\text{N}}_{\text{2}}^{\text{ + }} $的偶极跃迁矩阵元随核间距的变化关系

Figure 2. Transition dipole moments of $ {\text{N}}_{\text{2}}^{\text{ + }} $ as a function of internuclear distance R.

DownLoad: Full-Size Img PowerPoint

图 3 $ {\text{N}}_{\text{2}}^{\text{ + }} $的配分函数

Figure 3. The partition functions of $ {\text{N}}_{\text{2}}^{\text{ + }} $.

DownLoad: Full-Size Img PowerPoint

图 4 压强为100 atm时, $ {\text{N}}_{\text{2}}^{\text{ + }} $(黑线)和$ {{\text{N}}_2} $(红线)^[45] 在不同温度下的不透明度　(a) 295 K, (b) 500 K, (c) 1000 K, (d) 2000 K.

Figure 4. Opacities of $ {\text{N}}_{\text{2}}^{\text{ + }} $ (black line) and $ {{\text{N}}_2} $ (red line) ^[45] at different temperatures under pressure of 100 atm, (a) 295 K, (b) 500 K, (c) 1000 K, (d) 2000 K.

DownLoad: Full-Size Img PowerPoint

图 5 压强为100 atm时, $ {\text{N}}_{\text{2}}^{\text{ + }} $(黑线)和$ {{\text{N}}_2} $(红线)^[45] 在不同温度下的不透明度　(a) 2500 K, (b) 5000 K, (c) 10000 K.

Figure 5. Opacities of $ {\text{N}}_{\text{2}}^{\text{ + }} $ (black line) and $ {{\text{N}}_2} $ (red line) ^[45] at different temperatures under pressure of 100 atm, (a) 2500 K, (b) 5000 K, (c) 10000 K.

DownLoad: Full-Size Img PowerPoint

表 1 $ {\rm{N}}_{{2}}^{{+}} $分子离子$ {{\rm{X}}^{{2}}}{\Sigma}_{\rm{g}}^{{+}} $, $ {{\rm{A}}^{{2}}}{{\Pi}_{\rm{u}}} $和$ {{\rm{B}}^{{2}}}{\Sigma}_{\rm{u}}^{{+}} $的振动能级间隔(单位: cm^–1).

Table 1. Vibration energy level intervals for $ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $, $ {{\text{A}}^{2}}{{\Pi}_{\text{u}}} $ and $ {{\text{B}}^{2}}{\Sigma}_{\text{u}}^{+} $ state of $ {\text{N}}_{2}^{+} $ (in cm^–1).

$ \nu $	$ {{\rm{X}}^{2}}{\Sigma}_{\rm{g}}^{+} $		$ {{\rm{A}}^{2}}{{\Pi}_{\rm{u}}} $		$ {{\rm{B}}^{2}}{\Sigma}_{\rm{u}}^{+} $
$ \nu $	This work	Experiment^[18]	This work	Experiment^[18]	This work	Experiment^[18]
1	2160.20	2186.3	1860.80	1873.1	2350.81	2371.5
2	2127.69	2131.8	1830.13	1843.2	2296.85	2318.8
3	2095.20	2118.8	1800.42	1813.3	2236.54	2260.4
4	2062.18	2054.0	1770.50	1783.7	2169.60	2196.4
5	2028.65	2057.7	1740.20		2095.35	2122.8
6	1994.38	2003.6	1710.16		2008.01	2041.0
7	1960.15	1977.9	1680.47		1904.72	1951.1
8	1926.84	1940.7	1650.76		1790.50	1838.2
9	1893.06	1903.8	1621.04		1671.73	1726.9
10	1856.93	1870.9	1591.27		1553.84	1596.7
11	1818.04	1835.8	1561.57		1441.30	1479.9
12	1776.20	1800.6	1531.56		1339.77	1371.4
13	1733.59	1764.7	1501.57		1251.04	1276.3
14	1693.16	1733.5	1471.76		1175.43	1196.3
15	1657.08	1684.3	1442.16		1111.18	1126.6
16	1625.93	1655.8	1412.80		1053.80	1067.1
17	1597.90	1616.3	1383.51		1002.49	1015.5
18	1570.43	1576.8	1354.06		955.83	966.0
19	1541.51	1537.3	1324.26		913.25	922.0
20	1510.09	1497.8	1294.02		873.37	882.0

DownLoad: CSV

表 2 ${\text{N}}_2^+$的光谱常数.

Table 2. Spectroscopic constants of $\rm N_2^+$.

State	Source	${R_{\rm{e}}}$/Å	${T_{\rm{e}}}$/$ {{\rm c}}{{{\rm m}}^{{{ - }}1}} $	${\omega _{\rm{e}}}$/$ {{\rm c}}{{{\rm m}}^{{{ - }}1}} $	${B_{\rm{e}}}$/$ {{\rm c}}{{{\rm m}}^{{{ - }}1}} $	${D_{\rm{e}}}$/eV
${ { {\rm X} }^{2} }{{\Sigma}}_{ {\rm g} }^{+}$	This work	1.1191	0	2196.2324	1.9227	8.7145
	Expt.^[18]	1.116	0	2207.00	1.9319	8.7128
	Theory^[51]	1.17	0	2075		8.4
	Theory^[52]	1.106	0		1.97
	Theory^[53]	1.1201		2193.4	1.919
	Theory^[54]	1.1203		2195	1.917
	Theory^[55]	1.1189		2204.5	1.924
	Theory^[56]	1.1261	0	2140
	Theory^[57]	1.12		2185
${ { {\rm A} }^{2} }{ { {\Pi } }_{ {\rm u} } }$	This work	1.1777	8911.1935	1890.3412	1.7358	7.6096
	Expt.^[18]	1.177	9016.4	1903.53	1.748	7.5948
	Theory^[51]	1.26	14517.97	1693		6.7
	Theory^[52]	1.165	9016		1.773
	Theory^[53]	1.1781		1898.0	1.735
	Theory^[54]	1.1762		1918	1.739
	Theory^[55]	1.1772		1900.1	1.737
	Theory^[56]	1.1875	8872.10	1850
	Theory^[57]	1.177		1911
${ { \rm {B} }^{2} }{\Sigma}_{ {\rm u} }^{+}$	This work	1.0772	25861.741	2398.8591	2.0752	5.5273
	Expt.^[18]	1.077	25566.0	2419.84	2.073	5.5428
	Theory^[51]	1.16	30649.06	1805		4.6
	Theory^[52]	1.075	25566		2.084
	Theory^[58]	1.0832	25823	2441.8
	Theory^[54]	1.0776		2425	2.072
	Theory^[56]	1.0838	25325.80	2370

DownLoad: CSV

map

[1]	Cravens T E, Robertson I P, Waite J H, Yelle R V, Kasprzak W T, Keller C N, Ledvina S A, Niemann H B, Luhmann J G, McNutt R L, Ip W H, Haya V D L, Wodarg M, Wahlund J E, Anicich V G, Vuitton V 2006 Geophys. Res. Lett. 33 L07105 Google Scholar
[2]	Dutuit O, Carrasco N, Thissen R, Vuitton V, Alcaraz C, Pernot P, Lavvas P 2013 Astrophys. J. Suppl. Ser. 204 20 Google Scholar
[3]	Scherf M, Lammer H, Erkaev N V, Mandt K E, Thaller S E, Marty B 2020 Space Sci. Rev. 216 1 Google Scholar
[4]	Bruna P J, Grein F 2008 J. Mol. Spectrosc. 250 75 Google Scholar
[5]	Erkaev N V, Scherf M, Thaller S E, Lammer H, Mezentsev A V, Ivanov V A, Mandt K E 2021 Mon. Not. R. Astron. Soc. 500 2020 Google Scholar
[6]	Opitom C, Hutsemékers D, Jehin E, Rousselot P, Pozuelos F J, Manfroid J, Moulane Y, Gillon M, Benkhaldoun Z 2019 Astron. Astrophys. 624 A64 Google Scholar
[7]	Jenniskens P, Laux C O, Schaller E L 2004 Astrobiology 4 109 Google Scholar
[8]	Abe S, Ebizuka N, Yano H, Watanabe J I, Borovička J 2005 Astrophys. J. 618 L141 Google Scholar
[9]	Ho W C, Jäger W, Cramb D C, Ozier I, Gerry M C L 1992 J. Mol. Spectrosc. 153 692 Google Scholar
[10]	Shi D H, Xing W, Sun J F, Zhu Z L, Liu Y F 2011 Comput. Theor. Chem. 966 44 Google Scholar
[11]	Huffman R E, Larrabee J C, Tanaka Y 1964 Disc. Faraday Soc. 37 159 Google Scholar
[12]	Bruna P J, Grein F 2004 J. Mol. Spectrosc. 227 67 Google Scholar
[13]	Sinhal M 2021 Ph. D. Dissertation (Basel: University of Basel)
[14]	Fassbender M 1924 Z. Phys. 30 73
[15]	Childs W H J 1932 Proc. Roy. Soc. 137 641 Google Scholar
[16]	Meinel A B 1950 Astrophys. J. 112 562 Google Scholar
[17]	Dalby F W, Douglas A E 1951 Phys. Rev. 84 843 Google Scholar
[18]	Lofthus A, Krupenie P H 1977 J. Phys. Chem Ref. Data 6 113 Google Scholar
[19]	Dick K A, Benesch W, Crosswhite H M, Tilford S G, Gottscho R A, Field R W 1978 J. Mol. Spectrosc. 69 95 Google Scholar
[20]	Gudeman C S, Saykally R J 1984 Annu. Rev. Phys. Chem. 35 387 Google Scholar
[21]	Miller T A, Suzuki T, Hirota E 1984 J. Chem. Phys. 80 4671 Google Scholar
[22]	Wu S H, Chen Y Q, Zhuang H, Yang X H, Bi Z Y, Ma L S, L Y Y 2001 J. Mol. Spectrosc. 209 133 Google Scholar
[23]	Moon S Y, Choe W 2003 Spectrochim. Acta Part B 58 249 Google Scholar
[24]	Zhang Y P, Deng L H, Zhang J, Chen Y Q 2015 Chin. J. Chem. Phys. 28 134 Google Scholar
[25]	Nishiyama T, Taguchi M, Suzuki H, Dalin P, Ogawa Y, Brandstron U, Sakanoi T 2021 Earth Planets Space 73 30 Google Scholar
[26]	Chauveau S, Perrin M Y, Riviere P, Soufiani A 2002 J. Quant. Spectrosc. Radiat. Transfer 72 503 Google Scholar
[27]	Yan B, Feng W 2010 Chin. Phys. B 19 033303 Google Scholar
[28]	Peyrou B, Chemartin L, Lalande P, Chéron B G, Riviere P, Perrin M Y, Soufiani A 2012 J. Phys. D:Appl. Phys. 45 455203 Google Scholar
[29]	Liu H, Shi D H, Wang S, Sun J F, Zhu Z L 2014 J. Quant. Spectrosc. Radiat. Transfer 147 207 Google Scholar
[30]	Qin Z, Zhao J M, Liu L H 2017 J. Quant. Spectrosc. Radiat. Transfer 202 2 Google Scholar
[31]	Liang R H, Liu Y M, Li F Y 2021 Phys. Scr. 96 125402 Google Scholar
[32]	Liang R H, Liu Y M, Li F Y 2021 Contrib. Plasma Phys. 61 e2021000366 Google Scholar
[33]	Liang R H, Liu Y M, Li F Y 2021 J. Appl. Phys. 130 063303 Google Scholar
[34]	马文, 靳奉涛, 袁建民 2007 56 5709 Google Scholar Ma W, Jin F T, Yuan J M 2007 Acta Phys. Sin. 56 5709 Google Scholar
[35]	Lin X H, Liang G Y, Wang J G, Peng Y G, Shao B, Li R, Wu Y 2019 Chin. Phys. B 28 053101 Google Scholar
[36]	Liang G Y, Peng Y G, Li R, Wu Y, Wang J G 2020 Chin. Phys. B 29 023101 Google Scholar
[37]	Liang G Y, Peng Y G, Li R, Wu Y, Wang J G 2020 Chin. Phys. Lett. 37 123101 Google Scholar
[38]	Li R, Liang G Y, Lin X H, Zhu Y H, Zhao S T, Wu Y 2019 Chin. Phys. B 28 043102 Google Scholar
[39]	Xu X S, Dai A Q, Peng Y G, Wu Y, Wang J G 2018 J. Quant. Spectrosc. Radiat. Transfer 206 172 Google Scholar
[40]	Slipher V M 1933 Mon. Not. R. Astron. Soc. 93 657 Google Scholar
[41]	Feldman P D 1973 J. Geophys. Res. 78 2010 Google Scholar
[42]	Langhoff S R, Bauschlicher C W 1988 J. Chem. Phys. 88 329 Google Scholar
[43]	Langhoff S R, Bauschlicher C W, Partridge H 1987 J. Chem. Phys. 87 4716 Google Scholar
[44]	Weck P F, Schweitzer A, Kirby K, Hauschildt P H, Stancil P C 2004 Astrophys J. 613 567 Google Scholar
[45]	陈晨,赵国鹏,祁月盈,吴勇,王建国 2022 71 143102 Google Scholar Chen C, Zhao G P, Qi Y Y, Wu Y, Wang J G 2022 Acta Phys. Sin. 71 143102 Google Scholar
[46]	Woon D E, Dunning T H. 1995 J. Chem. Phys. 103 4572 Google Scholar
[47]	Werner H J and Meyer W 1980 J. Chem. Phys. 73 2342 Google Scholar
[48]	Langhoff S R, Davidson E R 1974 Int. J. Quantum Chem. 8 61 Google Scholar
[49]	Werner H J, Knowles P J 1988 J. Chem. Phys. 89 5803 Google Scholar
[50]	Werner H J, Knowles P J, Manby F R, Schütz M, Celani P, Knizia G, Korona T, Lindh R, Mitrushenkov A, Rauhut G 2010 MOLPRO: a Package of ab initio Programs
[51]	Thulstrup E W, Andersen A 1975 J. Phys. B:Atom. Mol. Phys. 8 965 Google Scholar
[52]	Zhang Y, Hanson D M 1986 Chem. Phys. Lett. 127 33 Google Scholar
[53]	Berning A, Werner H J 1994 J. Chem. Phys. 100 1953 Google Scholar
[54]	Li X Z, Paldus J 2000 Mol. Phys. 98 1185 Google Scholar
[55]	Spelsberg D, Meyer W 2001 J. Chem. Phys. 115 6438 Google Scholar
[56]	Bruna P J, Grein F 2008 J. Molecular Spectroscopy 250 75
[57]	Li X Z, Paldus J 2009 Phys. Chem. Chem. Phys. 11 5281 Google Scholar
[58]	Langhoff S R, Bauschlicher Jr C W 1988 J. Chemical Physics 88 329
[59]	Bernath P F, Dalgarno A 1996 Phys. Today 49 94

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Vol. 71, Issue 19 - 2022-10-05

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Molecular opacities of $ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $, A²Π_u and $ {{\text{B}}^{2}}{\Sigma}_{\text{u}}^{+} $ states of nitrogen cation

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Corresponding author: Zhao Guo-Peng, guopengzhao@zjxu.edu.cn ; Qi Yue-Ying, yying_qi@zjxu.edu.cn ; Wu Yong, wu_yong@iapcm.ac.cn ;

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Molecular opacities of $ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $, A2Πu and $ {{\text{B}}^{2}}{\Sigma}_{\text{u}}^{+} $ states of nitrogen cation

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Corresponding author: Zhao Guo-Peng, guopengzhao@zjxu.edu.cn ; Qi Yue-Ying, yying_qi@zjxu.edu.cn ; Wu Yong, wu_yong@iapcm.ac.cn ;

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Molecular opacities of $ {{\text{X}}^{2}}{\Sigma}_{\text{g}}^{+} $, A²Π_u and $ {{\text{B}}^{2}}{\Sigma}_{\text{u}}^{+} $ states of nitrogen cation