摘要
利用一种带相位因子的余弦函数,导出了适用于双原子分子或分子离子间相互作用的普适性解析势能函数,通过调节相位因子可获得5种常见形态的势能曲线.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.
A universal analytic potential energy function is derived using the cosine function with a phase factor,which is suitable to be applied to the interactions between two atoms in a molecule or molecule and ion.5 kinds of common potential curves are obtained by adjusting phase factors.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.
出处
《西安石油大学学报（自然科学版）》
CAS
2007年第3期122-126,共5页
Journal of Xi’an Shiyou University（Natural Science Edition）
基金
国家自然科学基金资助项目(编号:40274044)
关键词
普适性势能函数
力常数
光谱常数
universal potential energy function
force constant
spectroscopic constant
