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Multireference calculation of lifetime of A2$\Pi$u state in nitrogen-molecule cation |
| Yan Bing(闫冰)† and Feng Wei(冯伟) |
| Institute of Atomic and Molecular Physics, Jilin University, Changchun 130012, China |
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Abstract This paper utilizes multireference configuration interaction theory to calculate the lifetime of A2$\Pi_{\rm u}$ state for nitrogen molecular ion N$_{2}^{+}$. It obtains the transition moment function for A2$\Pi_{\rm u} \to $ X2 $\Sigma_{\rm g}^{+}$, Franck--Condon factors between vibrational levels of the two states. The calculated lifetimes are 16.81, 14.62, 13.10, 12.18, 11.40, and 11.64 μs for $v'$ = 0, 1, 2, 3, 4, 5 vibrational levels of A2$\Pi_{\rm u}$ state, respectively, which are in excellent agreement with available experimental values.
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Received: 22 May 2009
Revised: 02 June 2009
Accepted manuscript online:
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PACS:
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33.70.Ca
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(Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors)
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33.20.Tp
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(Vibrational analysis)
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31.15.vn
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(Electron correlation calculations for diatomic molecules)
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31.15.A-
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(Ab initio calculations)
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| Fund: Project supported by the National
Natural Science Foundation of China(Grant No.~10604022). |
Cite this article:
Yan Bing(闫冰) and Feng Wei(冯伟) Multireference calculation of lifetime of A2$\Pi$u state in nitrogen-molecule cation 2010 Chin. Phys. B 19 033303
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| [1] |
Nesbet R K 1965 J. Chem. Phys. 43 4403
|
| [2] |
Cade P E, Sales K D and Wahl A C 1966 J. Chem. Phys. 44 1973
|
| [3] |
Verhaegen G, Richards W G and Moser C M 1967 J. Chem. Phys. 47 2595
|
| [4] |
Tanaka Y and Ogawa M 1960 J. Chem. Phys. 32 754
|
| [5] |
Minaev B, Norman P, Jonsson D and Agren H 1995 Chem. Phys. 190 11
|
| [6] |
Le Z C, Liang J Q, Dong W, Zhu P P, Peng L Q, Wang W B, Huang W X, YuanQ X and Wang J Y 2007 Chin. Phys. 16 984
|
| [7] |
Wang S S, Kong R H, Tian Z Y, Shan X B, Zhang Y W, Sheng L S, Wang Z Y,Hao L Q and Zhou S K 2006 Acta Phys. Sin. 55 3433 (in Chinese)
|
| [8] |
Besnard M J, Hellner L, Dujardin G and Winkoun D 1988 J. Chem. Phys. 88 1732
|
| [9] |
Olsson B J, Kindvall G and Larsson M 1988 J. Chem. Phys. 88 7501
|
| [10] |
Boyd R K and Wetmore R W 1986 J. Phys. Chem. 90 5540
|
| [11] |
Taylor P R and Partridge H 1987 J. Phys. Chem. 91 6148
|
| [12] |
Piper L G, Green B D, Blumberg W A M and Wolnik S J 1986 J. Phys. B 19 3327
|
| [13] |
Tanaka Y, Namioka T and Jursa A S 1961 Can. J. Phys. 39 1138
|
| [14] |
Hollstein M, Lorents D C, Peterson J R and Sheridan J R 1969 Can. J. Phys.47 1858
|
| [15] |
Werner H J and Knowles P J 1988 J. Chem. Phys. 89 5803
|
|
[Knowles P J and Werner H J 1988 Chem. Phys. Lett. 145 514
|
| [16] |
Werner H J, Knowles P J, Lindh R, Manby F R, Schütz M and others MOLPRO version 2006.1, a package of ab initio programs, see http://www.molpro.net
|
| [17] |
Dunning Jr T H 1989 J. Chem. Phys. 90 1007
|
| [18] |
Popkie H E and Henneker W H 1971 J. Chem. Phys. 55 617
|
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