论文部分内容阅读
利用代数方法研究了非对称弯曲三原子分子S_2O分子处于(?)~1A′电子态的能谱及其稳定构型下的势能面,通过对30条光谱数据的拟和得到的rms误差为2.40 cm~(-1)。结果表明,利用此代数Hamiltonian很好的实现了能级再现,它预测了振动总量子数达到20的全部振动能级,同时我们计算了分子的解离能与力常数。通过与实验值比较证明了这种方法在计算这类分子的有效性。
The algebraic method was used to study the energy spectrum of the asymmetric bent triatomic molecule S_2O in the (?) ~ 1A ’state and the potential energy surface in its stable configuration. The rms error obtained by the fitting of 30 spectral data was 2.40 cm ~ (-1). The results show that using this algebraic Hamiltonian, the energy level reproduction is well realized, which predicts all the vibrational levels up to the total quantum number of 20 and we calculate the dissociation energies and the force constants of the molecules. The effectiveness of this method in calculating such molecules is proved by comparing with the experimental data.