Asymptotically forbidden quasimolecular optical transitions induced by low-temperature collisions

该项目旨在从理论上研究导致亚稳态原子形成的光学碰撞或低温二元碰撞中原子亚稳态的辐射去居数。项目内容包括：1)从头计算所涉及的相互作用能面和光跃迁矩，重点是Rydberg轨道和相对论效应的正确描述；2)随后计算吸收/辐射的光谱分布，以及原子/分子在光碰撞或辐射失序下的角分布和总横截面，重点是正确描述光跃迁和非condon跃迁中两个原子的相对旋转运动和电子角动量的耦合；3)建立了描述低温碰撞中原子-双原子分子光学跃迁的分析方法，重点研究了Hg-H2/D2碰撞中的同位素效应；4)基于从头算势能面建立了光学碰撞中多重态跃迁的半经典理论。

The project is aimed at investigating theoretically the optical collisions which lead to the formation of atoms in metastable states or the radiative depopulation of atomic metastable states in binary collisions at low temperatures. The project includes: 1) Ab initio calculations of the interaction energy surfaces and optical transition moments involved, with emphasis on the correct description of Rydberg orbitals and relativistic effects; 2) subsequent calculations of the spectral profiles for absorption/radiation, as well as angular distributions of atoms/molecules and total cross sections under optical collisions or radiative depopulation, with specific emphasis on the correct description of the coupling of the relative rotational motion of the two atoms and the electronic angular momentum in optical transitions as well as the non-Condon transitions; 3) the development of an analytical approach for the description of atom-diatomic molecule optical transitions in low temperature collisions, with specific emphasis on the isotopic effect in Hg-H2/D2 collisions; 4) the development of a semiclassical theory for intramultiplet transitions in optical collisions based on ab initio potential energy surfaces.