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TIAN Yali
1,2
, ZHAO Yujie
1,2
, ZHOU Weiqi
1,2
, HE Xiaohu
1,2
, GONG Ting
1,2
,
SUN Xiaocong
1,2
, GUO Guqing
1,2
, QIU Xuanbing
1,2
, LI Chuanliang
1,2*
TIAN Yali , , ZHAO Yujie , , ZHOU Weiqi , , HE Xiaohu , , GONG Ting , , SUN Xiaocong , , GUO Guqing , , QIU Xuanbing , , LI Chuanliang ,
Chinese Journal of Quantum Electronics
2023, 40 (6):
807-815.
DOI: 10.3969/j.issn.1007-5461.2023.06.001
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.
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