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@ARTICLE{DarbyLewis:856029,
      author       = {Darby-Lewis, D. and Tennyson, J. and Lawson, K. D. and
                      Yurchenko, S. N. and Stamp, M. F. and Shaw, A. and
                      Brezinsek, S.},
      title        = {{S}ynthetic spectra of {B}e{H}, {B}e{D} and {B}e{T} for
                      emission modeling in {JET} plasmas},
      journal      = {Journal of physics / B Atomic, molecular and optical
                      physics B},
      volume       = {51},
      number       = {18},
      issn         = {1361-6455},
      address      = {Bristol},
      publisher    = {IOP Publ.84206},
      reportid     = {FZJ-2018-05709},
      pages        = {185701 -},
      year         = {2018},
      abstract     = {A theoretical model for isotopologues of beryllium
                      monohydride, BeH, BeD and BeT, A ${}^{2}{\rm{\Pi }}$ to X
                      ${}^{2}{{\rm{\Sigma }}}^{+}$ visible and X
                      ${}^{2}{{\rm{\Sigma }}}^{+}$ to X ${}^{2}{{\rm{\Sigma
                      }}}^{+}$ 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 ${}^{2}{{\rm{\Sigma }}}^{+}$, A
                      ${}^{2}{\rm{\Pi }}$, and C ${}^{2}{{\rm{\Sigma }}}^{+}$
                      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 ${}^{2}{\rm{\Sigma }}$, and to fit
                      an improved potential energy curve for the first excited
                      state, A ${}^{2}{\rm{\Pi }}$, including a spin–orbit
                      coupling term, a Λ-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.},
      cin          = {IEK-4},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IEK-4-20101013},
      pnm          = {174 - Plasma-Wall-Interaction (POF3-174)},
      pid          = {G:(DE-HGF)POF3-174},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000442624100001},
      doi          = {10.1088/1361-6455/aad6d0},
      url          = {https://juser.fz-juelich.de/record/856029},
}