Multireference calculation of lifetime of A2$\Pi$u state in nitrogen-molecule cation

doi:10.1088/1674-1056/19/3/033303

Abstract This paper utilizes multireference configuration interaction theory to calculate the lifetime of A²

Π_{u}

state for nitrogen molecular ion N

_{2}^{+}

. It obtains the transition moment function for A²

Π_{u} \to

X²

Σ_{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

Π_{u}

state, respectively, which are in excellent agreement with available experimental values.

Keywords: lifetime Franck--Condon factor nitrogen molecular ion

Received: 22 May 2009
Revised: 02 June 2009
Accepted manuscript online:

PACS:	33.70.Ca	(Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors)
	33.20.Tp	(Vibrational analysis)
	31.15.vn	(Electron correlation calculations for diatomic molecules)
	31.15.A-	(Ab initio calculations)

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 $Π$ _u state in nitrogen-molecule cation 2010 Chin. Phys. B 19 033303

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Multireference calculation of lifetime of A2Πu state in nitrogen-molecule cation

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Multireference calculation of lifetime of A² $Π$ _u state in nitrogen-molecule cation