摘要
用二次量子化方法和酉变换得到XY3分子伸缩振动的Hamiltonian算子,其中的系数优化后用来计算NH3和ND3分子的本征能量,其结果与实验值相符。利用这个简单的Hamiltonian算子计算了在激光场中NH3和ND3分子的多光子激发。详细讨论了跃迁概率的长时间平均值和同位素效应。
A stretch vibrtion Hamiltonian of XY 3 molecule has been derived by using the second quantization,unitary transformations and the optimization of coefficients.The energy spectrum of NH 3 and ND 3 molecules obtained from this Hamiltonian is in good agreement with that of experments.The multiphoton excitation of NH 3 and ND 3 molecules in laser fields have been calculated.The long time average of the transition probabilities and the isotopic dffects are discussed in detail.
基金
山东省自然科学基金
国家自然科学基金
理论化学计算国家重点实验室资助