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摘要
Feasibility of laser-cooling AlCl molecule is investigated using ab initio quantum chemistry. Potential energy curves, permanent dipole moments, and transition dipole moments for the X-1 Sigma(+), a(3)Pi, and A(1)Pi states are studied based on multi-reference configuration interaction plus Davidson corrections (MRCI+Q) method with ACVQZ basis set, spin-orbit coupling effects are considered at the MRCI+Q level. Highly diagonally distributed Franck-Condon factors (f(00) = 0.9988 and f(11) = 0.9970) and branching ratios (R-00 = 0.9965, R-01 = 2.85 x 10(-3), R-02 = 6.35 x 10(-4), and R-03 = 2.05 x 10(-6)) for the A(1)Pi(1)(v' = 0) -> X-1 Sigma(+)(0+)(v ''' = 0) transition are determined. A sufficiently radiative lifetime tau (A(1)Pi(1)) = 4.99 ns is predicted for rapid laser cooling. The proposed cooling wavelength is deep in the ultraviolet region at lambda(00) = 261.75 nm. Total emission rates for the a(3)Pi(0+) -> X-1 Sigma(+)(0+), a(3)Pi(1) -> X-1 Sigma(+)(0+), A(1)Pi(1) -> a(3)Pi(0+), and A(1)Pi(1) -> a(3)Pi(1) transitions are particularly small (similar to 10 s(-1)-650 s(-1)). The calculated vibrational branching loss ratio to the intermediate a(3)Pi(0+) and a(3)Pi(1) states can be negligible. The results imply the probability of laser cooling AlCl molecule with three-electronic-level. Published by AIP Publishing.
- 出版日期2016-7-14
- 单位成都信息工程大学; 宜宾学院
