分子势能函数与分子光谱

Molecular Potential Energy Function and Molecular Spectrum

分子光谱是人类识知分子内部结构的重要手段之一,分子势能函数是分子本身几何及电子结构的完全描述.通过BH、Na2H等分子基态的结构与势能函数,可看出它们之间联系的紧密性和复杂性.

Molecular spectrum is one of the important means of human knowledge to know the internal structure of the molecules. Molecular potential energy function is the complete description of its molecular geometry and electronic structure. Through ground - state structure and potential energy function of the elements, such as BH, Na2H, we can see the close links and complexity between them.