Article
Synthetic spectra of BeH, BeD and BeT for emission modeling in JET plasmas
Author/s | Darby-Lewis, D.
Tennyson, J. Lawson, K.D. Yurchenko, S.N. Stamp, M.F. Jet Contributors García Muñoz, Manuel |
Department | Universidad de Sevilla. Departamento de Física Atómica, Molecular y Nuclear |
Publication Date | 2018-09-28 |
Deposit Date | 2020-07-15 |
Published in |
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Abstract | A theoretical model for isotopologues of beryllium monohydride, BeH, BeD and BeT, A (2)Pi to X (2)Sigma(+) visible and X (2)Sigma(+) to X (2)Sigma(+) infrared rovibronic spectra is presented. The MARVEL procedure is used ... A theoretical model for isotopologues of beryllium monohydride, BeH, BeD and BeT, A (2)Pi to X (2)Sigma(+) visible and X (2)Sigma(+) to X (2)Sigma(+) infrared rovibronic spectra is presented. The MARVEL procedure is used to compute empirical rovibronic energy levels for BeH, BeD and BeT, using experimental transition data for the X (2)Sigma(+), A (2)Pi, and C (2)Sigma(+) states. The energy levels from these calculations are then used in the program Duo to produce a potential energy curve for the ground state, X (2)Sigma, and to fit an improved potential energy curve for the first excited state, A (2)Pi, including a spin-orbit coupling term, a A-doubling state to state (A-X states) coupling term, and Born-Oppenheimer breakdown terms for both curves. These, along with a previously computed ab initio dipole curve for the X and A states are used to generate vibrational-rotational wavefunctions, transition energies and A-values. From the transition energies and Einstein coefficients, accurate assigned synthetic spectra for BeH and its isotopologues are obtained at given rotational and vibrational temperatures. The BeH spectrum is compared with a high resolution hollow-cathode lamp spectrum and the BeD spectrum with high resolution spectra from JET giving effective vibrational and rotational temperatures. Full A-X and X-X line lists are given for BeH, BeD and BeT and provided as supplementary data on the ExoMol website. |
Project ID. | 633053
P012450/1 |
Citation | Darby-Lewis, D., Tennyson, J., Lawson, K.D., Yurchenko, S.N., Stamp, M.F., Jet Contributors, y García Muñoz, M. (2018). Synthetic spectra of BeH, BeD and BeT for emission modeling in JET plasmas. Journal of Physics B: Atomic, Molecular and Optical Physics, 51 (18), 1-12. |
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