双原子分子的魏势模型和泰茨势模型的等价性。

Equivalence of the Wei potential model and Tietz potential model for diatomic molecules.

机构信息

State Key Laboratory of Oil and Gas Reservoir Geology and Exploitation, Southwest Petroleum University, Chengdu 610500, People's Republic of China.

出版信息

J Chem Phys. 2012 Jul 7;137(1):014101. doi: 10.1063/1.4731340.

DOI:10.1063/1.4731340

PMID:22779631

Abstract

By employing the dissociation energy and the equilibrium bond length for a diatomic molecule as explicit parameters, we generate improved expressions for the well-known Rosen-Morse, Manning-Rosen, Tietz, and Frost-Musulin potential energy functions. It is found that the well-known Tietz potential function that is conventionally defined in terms of five parameters [T. Tietz, J. Chem. Phys. 38, 3036 (1963)] actually only has four independent parameters. It is shown exactly that the Wei [Phys. Rev. A 42, 2524 (1990)] and the well-known Tietz potential functions are the same solvable empirical function. When the parameter h in the Tietz potential function has the values 0, +1, and -1, the Tietz potential becomes the standard Morse, Rosen-Morse, and Manning-Rosen potentials, respectively.

摘要

通过将双原子分子的离解能和平衡键长作为显式参数，我们为著名的罗森-莫尔斯（Rosen-Morse）、曼宁-罗森（Manning-Rosen）、蒂茨（Tietz）和弗罗斯特-穆苏林（Frost-Musulin）势能函数生成了改进的表达式。结果发现，传统上用五个参数定义的著名蒂茨（Tietz）势函数实际上只有四个独立参数。确切地证明了魏（Wei）[Phys. Rev. A 42, 2524 (1990)]和著名的蒂茨（Tietz）势函数是相同的可解经验函数。当蒂茨（Tietz）势函数中的参数 h 的值为 0、+1 和-1 时，蒂茨（Tietz）势分别成为标准的莫尔斯（Morse）、罗森-莫尔斯（Rosen-Morse）和曼宁-罗森（Manning-Rosen）势。