基态和激发态氧振动光谱的量子力学计算

The quantum calculation for the molecular vibration of O_2's ground state and low excited state

利用分子势能函数的Murrell Sorbie和PG函数形式 ,将时域有限差分法应用基态和激发态氧分子的振动能级的量子力学计算 。

By using the potential energy function such as Murrell Sorbie and PG functions, Finite Diffeeence Time Domain(FD TD) method was applied in the quantum calculation for the molecular vibration of the ground and excited states of O 2, the numeral results are acceptable.