李代数方法在分子振动光谱研究中的应用

通过对动力学对称性的介绍,引出构造分子体系Hamiltonian的方法,并介绍李代数方法处理分子"振动-振动耦合"、"振动-转动耦合"Hamiltonian的一般步骤.还以HCO分子体系为例,说明如何选取特定的群链来构造Hamiltonian,并论证了对于该体系群链的唯一性.最后还对一些李代数方法在分子光谱中的其他应用(例如局域模,多原子分子的振转光谱研究)作了初步的介绍,并对于这一方法的不足和局限性做了论述.

The application of Lie algebra method in the research of molecular vibrational spectroscopy

Through the introduction of dynamical symmetry, the method of construct the Hamiltonian of the molecule is derived and the general method of dealing with "vibration-vibration coupling" and "vibration-rotation coupling" molecular spectroscopy are deduced. An example (HCO molecule) is induced to elucidate this method by choosing a certain group chain to construct Hamiltonian of this molecular system and illustrating that the group chain is unique. It also makes a principal introduction of some other applications of Lie algebra method in the molecular spectroscopy (e.g. local-mode, the spectroscopy of multi-atomic molecule) and elucidates some question of this method in the last of this paper.