ИСТИНА

Ultracold molecules have, in recent times, become a highly useful tool in many fields of experimental physics, such as fundamental physics, metrology, ultracold chemistry, and experimental modelling of quantum computers. However, in order to employ ultracold molecules, one must first create them. This typically requires comprehensive and exact foreknowledge of rovibronic levels, the calculation of which requires highly accurate potential energy curves (PECs) and coupling matrix elements between the states involved. In this work, the spin orbit coupled D1Π-d3Π complex of LiRb is studied. Using high level ab initio data of the PECs and spin-orbit couplings (SOCs), the available experimental terms [1-2] assigned to the D1Π and d3Π states are described through a nonadiabatic perturbation treatment to within experimental accuracy (0.01 cm-1). Figure 1. The a) PECs, b) SOCs, and c) term energies for the D1Π- d3Π complex of LiRb, as well as d) the error in describing the experimental terms. References [1] Ivanova M., Stein A., Pashov A., Knöckel H., Tiemann E. // J. Chem. Phys. 2013, V. 138, P. 94315 [2] Stevenson, I., Blasing, D., Altaf, A., Chen, Y. P., Elliott, D. S. // J. Chem. Phys. 2016, V. 145(22), P. 224301. Acknowledgements. The study was funded by RFBR according to the research project N18-33-00753.