We investigate whether A1C1 and A1Br are promising candidates for laser cooling. We report new ab initio calculations on the ground state X1E＋ and two low-lying states （A1H and a3H） of A1C1 and A1Br. The calculated...We investigate whether A1C1 and A1Br are promising candidates for laser cooling. We report new ab initio calculations on the ground state X1E＋ and two low-lying states （A1H and a3H） of A1C1 and A1Br. The calculated spectroscopic constants show good agreement with available theoretical and experimental results. We also obtain the permanent dipole moments （PDMs） curve at multi-reference configuration interaction （MRCI） level of theory. The transition properties of A1H and a3H states are predicted, including the transition dipole moments （TDMs）, Franck-Condon factors （FCFs）, radiative times and radiative width. The calculated radiative lifetimes are of the order of a nanosecond, implying that they are sufficiently short for rapid laser cooling. Both A1C1 and A1Br have highly diagonally distributed FCFs which are crucial requirement for molecular laser cooling. The results demonstrate the feasibility of laser cooling A1C1 and A1Br, and we propose laser cooling schemes for A1C1 and A1Br.展开更多
文摘We investigate whether A1C1 and A1Br are promising candidates for laser cooling. We report new ab initio calculations on the ground state X1E＋ and two low-lying states （A1H and a3H） of A1C1 and A1Br. The calculated spectroscopic constants show good agreement with available theoretical and experimental results. We also obtain the permanent dipole moments （PDMs） curve at multi-reference configuration interaction （MRCI） level of theory. The transition properties of A1H and a3H states are predicted, including the transition dipole moments （TDMs）, Franck-Condon factors （FCFs）, radiative times and radiative width. The calculated radiative lifetimes are of the order of a nanosecond, implying that they are sufficiently short for rapid laser cooling. Both A1C1 and A1Br have highly diagonally distributed FCFs which are crucial requirement for molecular laser cooling. The results demonstrate the feasibility of laser cooling A1C1 and A1Br, and we propose laser cooling schemes for A1C1 and A1Br.
