Synthetic spectra of BeH, BeD and BeT for emission modelling in JET plasmas

Synthetic spectra of BeH, BeD and BeT for emission modelling in JET plasmas

Synthetic spectra of BeH, BeD and BeT for emission modelling in JET plasmas 150 150 UKAEA Opendata
UKAEA-CCFE-PR(18)57

Synthetic spectra of BeH, BeD and BeT for emission modelling in JET plasmas

A theoretical model for isotopologues of beryllium monohydride, BeH, BeD and BeT, A 2 Π to X 2 Σ + visible and X 2 Σ + to X 2 Σ + infrared rovibronic spectra. The MARVEL procedure is used to compute empirical rovibronic energy levels for BeH, BeD and BeT, using experimental transition data for the X 2 Σ + , A 2 Π, and C 2 Σ + 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 Σ, and to fit an improved PEC for the first excited state, A 2 Π, including a spin-orbit (LS) coupling term, a Λ– doubling state to state (A-X states) coupling term, and Born-Oppenheimer breakdown (BOB) 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 linelists are given for BeH, BeD and BeT and also provided on the ExoMol website.

Collection:
Journals
Journal:
Journal of Physics B
Publisher:
IOP (Institute of Physics)
Published date:
15/05/2021