Theoretical radiative properties between states of the triplet manifold of NH radical
- Department of Physics, Advanced Teachers' Training College, University of Yaounde I, P.O. Box 47, Yaounde (Cameroon)
- Laboratory of Atomic Molecular Spectroscopy and Applications (LSAMA), Faculty of Science, University Tunis El Manar, Campus Universitaire 1060 Tunis (Tunisia)
Ab initio transition dipole moments between states of the triplet manifold of NH radical are determined at the complete active space self-consistent field, followed by the internally contracted multireference singles plus doubles configuration interaction level of theory with a modified aug-cc-pVTZ basis set that accounts for valence-Rydberg interactions. This enables the computation of various radiative characteristics such as Einstein coefficients, radiative lifetimes, and oscillator strengths. These properties concern as well valence and Rydberg states. For the valence states, only the (0, 0) band of the A {sup 3}{pi}-X {sup 3}{sigma}{sup -} transition has received some important amount of attention. Data for the other transitions are rather scarce and sometimes inexistent. The results obtained in this work show good agreement with the available experimental data in comparison to other theoretical numbers reported in the literature.
- OSTI ID:
- 21103854
- Journal Information:
- Journal of Chemical Physics, Vol. 128, Issue 8; Other Information: DOI: 10.1063/1.2884923; (c) 2008 American Institute of Physics; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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