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Multireference configuration interaction study of the low-lying electronic states of SiS+

Surya Chattopadhyaya1 and Kalyan Kumar Das

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The electronic spectrum of 28Si32S+ has been studied by using relativistic configuration interaction calculations which include effective core potentials. Spectroscopic constants and potential energy curves of low-lying states within 5 eV have been computed. The spin–orbit coupling has also been included in the calculations. The vertical ionization potentials of the ground-state SiS to the ground and a few excited states of SiS+ have been calculated and compared with the experimentally derived values. The transition moment functions of some dipole allowed transitions such as B2Σ+–X2Π, B2Σ+–A2Σ+ etc have been constructed. The dipole moments of three doublets such as X2Π, A2Σ+ and B2Σ+ and three quartets such as 4Π, 4Σ+ and 4Δ of SiS+ are reported. The radiative lifetimes of a couple of excited 2Σ+ states are estimated.


PACS

31.15.vj Electron correlation calculations for atoms and ions: excited states

33.15.Ry Ionization potentials, electron affinities, molecular core binding energy

33.70.Ca Oscillator and band strengths, lifetimes, transition moments, and Franck-Condon factors

33.15.Kr Electric and magnetic moments (and derivatives), polarizability, and magnetic susceptibility

Subjects

Atomic and molecular physics

Computational physics

Dates

Issue 16 (28 August 2004)

Received 25 May 2004

Published 29 July 2004



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