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The Study of Dynamical Potentials of Highly Excited Vibrational States of HOBr

机译:HOBr高振动态动力学势的研究

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The vibrational nonlinear dynamics of HOBr in the bending and O–Br stretching coordinates with anharmonicity and Fermi 2:1 coupling are studied with dynamical potentials in this article. The result shows that the H–O stretching vibration mode has significantly different effects on the coupling between the O–Br stretching mode and the H–O–Br bending mode under different Polyad numbers. The dynamical potentials and the corresponding phase space trajectories are obtained when the Polyad number is 27, for instance, and the fixed points in the dynamical potentials of HOBr are shown to govern the various quantal environments in which the vibrational states lie. Furthermore, it is also found that the quantal environments could be identified by the numerical values of action integrals, which is consistent with former research.
机译:本文利用动力学势研究了HOBr在弯曲和O-Br拉伸坐标中具有非谐和费米2:1耦合的振动非线性动力学。结果表明,在不同的Polyad数下,H–O拉伸振动模式对O–Br拉伸模式和H–O–Br弯曲模式之间的耦合具有显着不同的影响。例如,当Polyad数为27时,可以获得动态势和相应的相空间轨迹,并且显示了HOBr的动态势中的固定点控制振动状态所处的各种量子环境。此外,还发现可以通过作用积分的数值来识别量子环境,这与以前的研究是一致的。

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