论文标题
激发态量子相变的分子弯曲光谱
Excited state quantum phase transitions in the bending spectra of molecules
论文作者
论文摘要
我们提出了对vibron模型的二维极限的哈密顿量的扩展，其中包括所有可能的相互作用，最多可达四体算子。我们将这种哈密顿量应用于14个分子的实验弯曲光谱的建模。所选分子物种的弯曲自由度包括所有可能的情况：线性，弯曲和非刚性平衡结构；证明了代数方法的灵活性，该方法允许以一般形式主义和单一的汉密尔顿人的身份考虑完全不同的物理案例。对于每种情况，我们计算用于描述量子单肌图的预测项值，Birge-Sponer图，参与率。我们还显示了使用连贯或固有的状态形式主义获得的弯曲能量功能。
We present an extension of the Hamiltonian of the two dimensional limit of the vibron model encompassing all possible interactions up to four-body operators. We apply this Hamiltonian to the modeling of the experimental bending spectrum of fourteen molecules. The bending degrees of freedom of the selected molecular species include all possible situations: linear, bent, and nonrigid equilibrium structures; demonstrating the flexibility of the algebraic approach, that allows for the consideration of utterly different physical cases with a general formalism and a single Hamiltonian. For each case, we compute predicted term values used to depict the quantum monodromy diagram, the Birge-Sponer plot, the participation ratio. We also show the bending energy functional obtained using the coherent --or intrinsic-- state formalism.
