Universal reduced potential function for diatomic systems

被引:24
作者
Xie, RH [1 ]
Hsu, PS
机构
[1] Hubei Univ, Dept Phys, Wuhan 430062, Peoples R China
[2] Hubei Univ, Key Lab Ferroelect Mat & Devices Hubei Prov, Wuhan 430062, Peoples R China
[3] Texas A&M Univ, Inst Quantum Studies, College Stn, TX 77843 USA
[4] Texas A&M Univ, Dept Phys, College Stn, TX 77843 USA
[5] Emory Univ, Dept Chem, Atlanta, GA 30322 USA
关键词
D O I
10.1103/PhysRevLett.96.243201
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The potential energy functions of 200 diatomic systems, with dissociation energies D-e ranging from few eV to hundreds of mu eV, are well described by a new three-parameter potential energy function. Identification of the evaluated values of a dimensionless quantity, xi(n)= L-2/L-n [L-n=(n!D-e/f(n))(1/n), a scaled length parameter, and f(n), the nth force constant evaluated at the equilibrium internuclear distance R-e], is proposed as a reliable criterion to search for the universal scaling features of potentials and spectroscopic constants for bound diatomic systems. Our study suggests a useful approach to predicting future molecular spectroscopic constants.
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页数:4
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