分子高激发振动态的经典非线性性质

The classical nonlinear properties of molecular highly excited vibration

该文阐述如何运用经典非线性力学的概念,来理解分子高激发振动态的谱学性质.内容包括:莫尔斯振子,单摆的动力学和共振的关系,力学体系的构成单元是单摆,一个共振对应于一个守恒量,混沌,共振的重叠导致混沌的产生等.我们的出发点是运用二次量子化算子构成的代数哈密顿量,经由海森伯对应而得到的陪集空间上的动力学体系.从此哈密顿量,可以得到动力学势.而动力学势和经典的不动点关系密切,并且量子态就处在由动力学势所包围,分成的几个量子环境中.从动力学势,可以依据它的对称性,方便推得局域模式的存在,最后我们利用这些非线性力学的概念,来分析DCO分子高激发振动态的解离问题.

The concepts of classical nonlinear dynamics are employed to interpret the spectroscopic properties of the molecular highly excited vibration. These concepts include the Morse oscillator, the pendulum dynamics, chaos and the overlapping of resonances leading to chaos. The relations of resonance, constant of motion and the basic dynamical unit to the pendulum dynamics are stressed. An algebraic Hamiltonian in the coset space is employed for the dynamical analysis from which the dynamical potential can be easily obtained. The dynamical potential is closely related to the classical fixed points in which the quantized levels are embedded in various quantal environments. Localized modes are easily identified in various systems which share similar dynamical potentials. The dissociation of DCO radical is finally interpreted by these concepts from the classical nonlinear dynamics.