代数模型下氨振动谱的计算(英文)

Vibrational spectrum of ammonia in an algebraic model

利用代数模型计算多原分子的键振动和弯曲振动谱 ,键振动和弯曲振动之间的耦合用费米共振项描述 ,用局域产生 (湮灭 )算符构造代数哈密顿 。

The stretching and bending vibrational spectrum of a polyatomic molecule XH_3 is calculated in an algebraic model, where the coupling between stretches and bends is described by Fermi resonance terms. The algebraic Hamiltonian established in terms of local creation(annihilation) operators is shown to provide good agreement with the experimental data of ammonia.