BeHe2+碰撞体系电子结构与光谱性质OA

The collision processes between Be2+ions and He atoms are widely present in astrophysical and laboratory plasma environments,which is of significant theoretical and practical interest.The electronic structure parameters of the Be2+(1s2)+He(1s2)collision system were calculated precisely using the ab initio multi-reference configuration interaction method with single and double excitations method,including the potential energy curves(PECs),radial coupling matrix elements,and rotational coupling matrix elements.The positions and magnitudes of the radial coupling matrix elements determine the reaction cross-section between electronic states of the same symmetry,while the rotational coupling matrix elements govern the electronic transition probability between states of different symmetries.Based on the high-precision adiabatic potential energy curves,the nuclear Schrödinger equation was solved numerically to obtain the spectroscopic constants of the BeHe2+quasi-molecule system.