Multireference calculations on low-lying states and X3Πu-3Πg absorption spectra of indium dimer

doi:10.1088/1674-1056/22/4/043102

Abstract Multireference configuration interaction calculations are carried out on eleven Λ-S low-lying electronic states of indium dimer. The Ω states are investigated with spin-orbit pseudopotentials via state-interacting method, and characterized with fitted spectroscopic constants based on computed potential energy curves. The vibrational structures of double-potential well 0_g⁺(I) (³Σ _g^-) state are analyzed. The experimentally observed absorption spectrum centred at ～ 13000 cm^-1 is simulated and assigned to X³Π_u (v' =0)-³Π _g transition according to the present ab initio calculations on transition energies and dipole moments functions.

Keywords: indium dimer spin-orbit coupling spectroscopic constants transition dipole moment

Received: 13 July 2012
Revised: 03 September 2012
Accepted manuscript online:

PACS:	31.50.Df	(Potential energy surfaces for excited electronic states)
	33.15.Mt	(Rotation, vibration, and vibration-rotation constants)
	32.70.Cs	(Oscillator strengths, lifetimes, transition moments)
	31.30.J-	(Relativistic and quantum electrodynamic (QED) effects in atoms, molecules, and ions)

Fund: Project supported by the National Magnetic Confinement Fusion Science Program of China (Grant No. 2010GB104003) and the Fundamental Research Funds for the Central Universities (Grant No. 450060481375).

Corresponding Authors: Yan Bing
E-mail: yanbing@jlu.edu.cn

Cite this article:

Zhou Ling-Song (周凌松), Yan Bing (闫冰), Jin Ming-Xing (金明星) Multireference calculations on low-lying states and X³Π_u-³Π_g absorption spectra of indium dimer 2013 Chin. Phys. B 22 043102

[1]	Balasubramanian K 1990 Chem. Rev. 90 93
[2]	Lu Y and Chen W 2012 Chem. Soc. Rev. 41 3594
[3]	de Heer W A 1993 Rev. Mod. Phys. 65 611
[4]	Zhang C J, Hu B T and Luo X W 2012 Chin. Phys. B 21 053601
[5]	Zhang X N, Shi D H, Sun J F and Zhu Z L 2011 Chin. Phys. B 20 43105
[6]	Tong X F, Yang C L, Xiao J, Wang M S and Ma X G 2010 Chin. Phys. B 19 123102
[7]	Huang D H and Wanf F H 2009 Acta Phys. Sin. 58 6091 (in Chinese)
[8]	Ginter D S, Ginter M L and Innes K K 1965 J. Phys. Chem. 69 2480
[9]	Douglas M A, Hauge R H and Margrave J L 1983 J. Phys. Chem. 87 2945
[10]	Froben F W, Schulze W and Kloss U 1983 Chem. Phys. Lett. 99 500
[11]	Balasubramanian K and Li J 1988 J. Chem. Phys. 88 4979
[12]	Metz B, Stoll H and Dolg M 2000 J. Chem. Phys. 113 2563
[13]	Peterson K A 2003 J. Chem. Phys. 119 11099
[14]	Werner H J and Knowles P J 1988 J. Chem. Phys. 89 5803
[15]	Langhoff S R and Davidson E R 1974 Int. J. Quantum Chem. 8 61
[16]	Roos B O, Lindh R, Malmqvist P Å, Veryazov V and Widmark P O 2004 J. Phys. Chem. A 108 2851
[17]	Knowles P J, Hampel C and Werner H 1993 J. Chem. Phys. 99 5219
[18]	Wolf A, Reiher M and Hess B A 2002 J. Chem. Phys. 117 9215
[19]	Reiher M and Wolf A 2004 J. Chem. Phys. 121 2037
[20]	Reiher M and Wolf A 2004 J. Chem. Phys. 121 10945
[21]	Werner H J, Knowles P J, Knizia G, Manby F R and Schütz M 2012 WIREs Comput. Mol. Sci. 2 242
[22]	Das K K 1997 J. Phys. B 30 803
[23]	Kramida A, Ralchenko Yu, Reader J and NIST ASD Team 2012 NIST Atomic Spectra Database (version 5.0) http://physics.nist.gov/asd (National Institute of Standards and Technology, Gaithersburg, MD)

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Multireference calculations on low-lying states and X3Πu-3Πg absorption spectra of indium dimer

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Multireference calculations on low-lying states and X³Π_u-³Π_g absorption spectra of indium dimer