描述了用于求解薛定谔方程本征值和本征函数的一种极其简洁的数值变分方法.在此基础上,以Murrel—Sorbie势为模型势,用FGH法计算了HF分子在基态的振动能级和波函数.计算结果与实验观测值的比较表明,FGH法是求解双原子分子体系能量算符本征值方程的一种简单有效的方法.
A simple numerical variation method for calculating the bound vibrational state energies and wavefunctions by solving the Schrodinger equation is described. The Fourier Grid Hamiltonian method is used to calculate the vibration energy levels and wavefunctions of the HF molecular under Murrel-Sorbie potential. From the comparison between the experiment and our calculated results, it can be concluded that the FGH method has the characteristics of simplicity and efficiency.