高激发态的参量透视:CHBrClF和C2H2的实例研究
Parametric perspective on highly excited states: case studies of CHBrClF and C2H2
摘要:
通过计算与有效光谱哈密顿量相关的共振算符的本征基期望值,可以获得关于高激发态的性质的相当多的见解。期望值与本征值相对于特定共振强度的参数导数有关,即,水平速度对基础经典相空间中的闭合轨道的存在的敏感性提供了到状态的动态分配的维度无关的路线。本文以CHBrClF(polyad P=5)和C_{2} H_{2}的[16,0]^{g+}弯曲polyad为例,说明了能级速度可以作为新模诞生的信号,并突出了局域本征态序列。
英文摘要:
Considerable insights can be obtained regarding the nature of highly excited states by computing the eigenbasis expectation values of the resonance operators associated with an effective spectroscopic Hamiltonian. The expectation values are related to the parametric derivative of the eigenvalues with respect to specific resonance strengths i.e., level velocities.Sensitivity of the level velocities to the existence of closed orbits in the underlying classical phase space provides for a dimensionality independent route to a dynamical assignment of the states. In this letter, taking CHBrClF (polyad P=5) and the [16,0]^{g+} bend polyad of C_{2}H_{2} as examples, we show that the level velocities can signal the birth of new modes and highlight sequences of localized eigenstates.
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