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  4. Synthetic spectra of BeH, BeD and BeT for emission modeling in JET plasmas
 
research article

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

Darby-Lewis, D.
•
Tennyson, J.
•
Lawson, K. D.
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September 28, 2018
Journal Of Physics B-Atomic Molecular And Optical Physics

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.

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Type
research article
DOI
10.1088/1361-6455/aad6d0
Web of Science ID

WOS:000442624100001

Author(s)
Darby-Lewis, D.
Tennyson, J.
Lawson, K. D.
Yurchenko, S. N.
Stamp, M. F.
Shaw, A.
Brezinsek, S.
Abduallev, S.
Abhangi, M.
Abreu, P.
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Date Issued

2018-09-28

Published in
Journal Of Physics B-Atomic Molecular And Optical Physics
Volume

51

Issue

18

Article Number

185701

Subjects

Optics

•

Physics, Atomic, Molecular & Chemical

•

Physics

•

fusion

•

emission spectrum

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beryllium monohydride

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diatomic molecular-spectra

•

line lists

•

exoplanet

•

program

•

marvel

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
SPC  
Available on Infoscience
September 20, 2019
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/161397
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