Fine Structure Investigation and Laser Cooling Study of the CdBr Molecule

Area of Science:

• Computational Chemistry
• Molecular Spectroscopy
• Quantum Mechanics

Background:

• Understanding molecular electronic structure is crucial for spectroscopy and quantum control.
• Di-atomic molecules offer simplified systems for studying fundamental chemical and physical processes.

Purpose of the Study:

• To computationally investigate the electronic states and spectroscopic properties of the CdBr molecule.
• To assess the potential of CdBr for laser cooling applications.
• To propose a feasible laser cooling scheme for ultracold CdBr molecules.

Main Methods:

• Ab initio calculations using Complete Active-Space Self-Consistent Field (CASSCF) and Multireference Configuration Interaction (MRCI) methods.
• Determination of potential energy curves and spectroscopic parameters (T_e, R_e, ω_e, B_e, etc.).
• Calculation of rovibrational constants, electronic transition dipole moment curves, and Franck-Condon factors.

Main Results:

• Detailed characterization of low-lying electronic states of CdBr, including spectroscopic and rovibrational constants.
• Evaluation of transition probabilities, radiative lifetimes, and cooling parameters.
• Identification of CdBr as a promising candidate for direct laser cooling.

Conclusions:

• The CdBr molecule possesses favorable properties for laser cooling.
• A practical laser cooling scheme using UV lasers is proposed, with experimentally accessible parameters.
• This research provides valuable data for experimentalists working with ultracold molecules.