French English

Webmaster –  Contact
Transition emission probabilities from B (Lyman), C (Werner), B', D rovibrational levels towards X

The data contain the transition energies (Tv'J'-Tv''J") and the line emission probabilities from the rovibrational levels (v', J') of upper states B, C, B', D of D2 towards the rovibrational levels (v", J") of the ground electronic state X.
Tv'J' and Tv''J" are respectively the term values of the upper and lower rovibronic levels.
The values are displayed up to rotational quantum number J'=11.
Details of the calculations are described in the paper:
'High-resolution far ultraviolet emission spectra of electron excited molecular deuterium'
H. Abgrall, E. Roueff, Xianming Liu, D. E. Shemansky and G. K. James
J. Phys. B: At. Mol. Opt. Phys. 32 (1999) 3813-3838
which will be referred as ARLSJ in the text.
The upper state wavefunctions have been obtained by taking into account nonadiabatic couplings between the electronic excited states.
The calculation is semiempirical because a slight ajustment of adiabatic potentials has been done to fit experimental rovibronic states within 1cm-1 for the few cases with forbidden rotational coupling (J=0 for B and B'; J=1 for C- and D-).
Comparison with experiment shows that other calculated upper term values remain within 1cm-1 for other J values (see tables 2-6 of ARLSJ).
We have verified that the emission spectrum of D2 excited by electrons is very well reproduced. by using our calculated emission probabilities.

The database is divided into 6 files:
BphysB99 .
for B state (Lyman transitions)
for C- state (Werner Q transitions)
for C+ state (Werner P and R transitions)
for B' state
for D- state (Q transitions)
for D+ state (P and R transitions)
Description of the data: In the data v', J', v", J" are respectively labelled VU, JU, VL, JL.
The 3rd line indicates the number of lines in the data.
The other lines contain 7 columns.
*column 1: v'
*column 2: J'
*column 3: v''
*column 4: J''
*column 5: transition emission probabilities in s-1
*column 6: transition energies in cm-1
*colummn 7 number n which indicates the references of the X lower state term values, Tv''J", used to obtain the transition energies of column 5.
n=1: Experimental X term values of H. Bredohl and G. Herzberg reported by R. S. Freund, J. A. Schiavone, and H. M. Crosswhite. , J. Phys. Chem. Ref. Data 14, 235 (1985).
n=2: Ab-initio nonadiabatic calculation of X terms by L. Wolniewicz, J. Chem. Phys. 103, 1792 (1995).(very good predicted accuracy, differences with observed levels of H. Bredohl and G. Herzberg less than 0.5cm-1)
n=3: Ab-initio adiabatic calculation of X terms as in ARLSJ (approximate accuracy within 4cm-1)