Then, a new analytical potential energy function of diatomic molecule is proposed based on the ECM and applied to some electronic ground states and excited states of diatomic molecules.
在创立能量自洽法的基础上提出了一种新的双原子分子解析势能函数—ECM势，并将其运用到一些双原子分子的电子基态和激发态。
The contribution of shell structure to the potential energy function can be obtained from an analysis of relative energies of nucleonic configurations in a potential of given shapes.
通过分析在一给定形状的势能中核子组态的相对能量，可以得到壳结构对势能函数的贡献。
The objective function in the model of prediction of protein structure is a potential energy function, either physics-based potentials or statistic-based potentials.
蛋白质结构预测模型的目标函数通常采用基于物理理论的经验势函数或基于统计理论的平均势能函数。
The spectroscopic constants of 20 kinds of molecule are calculated by using the potential energy function, and all the calculation results are in good agreement with experimental data.
利用该势能函数，计算了20种分子的光谱常数，结果表明所有理论计算值均与实验值符合得非常好。
The spectroscopic constants of 20 kinds of molecule are calculated by using the potential energy function, and all the calculation results are in good agreement with experimental data.
利用该势能函数，计算了20种分子的光谱常数，结果表明所有理论计算值均与实验值符合得非常好。
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