A Universal Analytic Potential Function Applied to Diatomic Molecules

摘要：

In this paper, a new method on constructing analytical potential energy functions is presented, and from this a analytical potential energy function applied to both neutral diatomic molecules and charged diatomic molecular ions is obtained. This potential energy function includes three dimensionless undetermined parameters which can be determined uniquely by solving linear equations with the experimental spectroscopic parameters of molecules. The solutions of the dimensionless undetermined parameters are real numbers rather than complex numbers, this ensures that the analytical potential energy function has extensive universality. Finally, the potential energy function is examined with four kinds of diatomic molecules or ions homonuclear neutral diatomic molecule H2(X1∑+8), homonuclear charged diatomic molecular ion He(X2∑u+), heternuclear neutral diatomic Molecule AlBr(A∩) and heternuclear charged diatomic Molecular ion BC(X3∩), as a consequence, good results are obtained.

关键词： diatomic molecules and ions potential energy function force constants spectroscopic parameters phase factor

作者: Yu Changfeng Wang Zhiwei

作者单位: Department of physics, School of Science Xian Polytechnic University Xian, Shaanxi, P.R.China Electronic Information college Xian Polytechnic University Xian, Shaanxi, P.R.China

会议类型: 国际会议

会议名称: 2011 2nd International Conference on Data Storage and Data Engineering(DSDE 2011)(2011年第二届数据存储与数据工程国际会议)

会议地点: 西安

会议语种:英文

页码: 105-110

在线出版日期: 2011-05-13（万方平台首次上网日期，不代表论文的发表时间）