重水分子伸缩振动谱的非线性量子理论计算

Calculation for Stretching Vibrational Spectrum of D 2O by Nonlinear Quantum Theory

用非线性量子理论中的离散自陷方程对蒸汽态和液态重水分子在高激发态下的伸缩振动能谱进行了计算。从中发现重水分子的振动能谱分布具有许多有趣的特点。计算所得到的结果对研究重水在高压状态下的特性具有重要的应用价值。

The stretching vibrational energy spectra of D 2O in both vapour and liquid phases are calculated until total quantumnu mber n=9 using the discrete self-trapping equation in nonlinear quantum theory.Many interesting features of vibrational energy spectrum of D 2O have been obtained from the calculated results,which are very useful in studying the behaviour of D 2O under high pressure condition.