Abstract: The potential energy curves of eight states (X1 Σ+ , a 3 Π, A1 Π, 13 Σ+ , b3 Σ- , 23 Π, 15 Σ- and 15 Π) corresponding to the two lowest dissociation limits B( 2 Pu)+X( 2 Sg) and B( 4 Pg)+X( 2 Sg) of BX (X = H, D) molecules are calculated based on the correlation consistent basis sets aug-cc-pV6Z using the highprecision multi-reference configuration interaction (MRCI) method. The radial Schrödinger equation is solved and the spectral constants of molecular Λ -S bound states are fitted using LEVEL8.0 program. Furthermore, the transition dipole moments, Franck-Condon factor and vibrational level radiation lifetimes of A1 Π-X1 Σ+ are calculated. Finally, according to the calculation results, the laser cooling scheme of the electronic transition system is developed, which lays a theoretical foundation for further study of BX (X = H, D) molecular spectral characteristics.

Key words: spectroscopy, radiative lifetimes, multiconfiguration-reference configuration interaction method, laser cooling