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.
引用
收藏
页数:4
相关论文
共 50 条
  • [11] POTENTIAL FUNCTION OF A DIATOMIC MOLECULE
    MAKUSHKIN, YS
    ULENIKOV, ON
    OPTIKA I SPEKTROSKOPIYA, 1978, 44 (01): : 73 - 80
  • [12] Pauli-Rydberg-London Potential: An Accurate Pair Potential Function for Diatomic Systems
    Xie, Jianing Colin
    Kar, Tapas
    Xie, Rui-Hua
    JOURNAL OF NANOSCIENCE AND NANOTECHNOLOGY, 2014, 14 (05) : 3993 - 4001
  • [13] CORRESPONDING STATES - UNIVERSAL REDUCED POTENTIAL ENERGY FUNCTION FOR SPHERICAL MOLECULES
    DYMOND, JH
    JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (09): : 3675 - &
  • [14] Diatomic potential energy function for helium
    Goharshadi, EK
    Abbaspour, M
    INDIAN JOURNAL OF CHEMISTRY SECTION A-INORGANIC BIO-INORGANIC PHYSICAL THEORETICAL & ANALYTICAL CHEMISTRY, 2004, 43 (07): : 1385 - 1392
  • [15] POTENTIAL FUNCTION FOR DIATOMIC-MOLECULES
    MIRAJKAR, SM
    INDIAN JOURNAL OF PHYSICS AND PROCEEDINGS OF THE INDIAN ASSOCIATION FOR THE CULTIVATION OF SCIENCE, 1970, 44 (10): : 521 - &
  • [16] A novel analytical potential function for dicationic diatomic molecular systems based on deformed exponential function
    Daniel F. S. Machado
    Rodrigo A. L. Silva
    Ana Paula de Oliveira
    Valter H. Carvalho-Silva
    Ricardo Gargano
    Luciano Ribeiro
    Heibbe C. B. de Oliveira
    Journal of Molecular Modeling, 2017, 23
  • [17] A novel analytical potential function for dicationic diatomic molecular systems based on deformed exponential function
    Machado, Daniel F. S.
    Silva, Rodrigo A. L.
    de Oliveira, Ana Paula
    Carvalho-Silva, Valter H.
    Gargano, Ricardo
    Ribeiro, Luciano
    de Oliveira, Heibbe C. B.
    JOURNAL OF MOLECULAR MODELING, 2017, 23 (06)
  • [18] Universal scaling features of spectroscopic constants for diatomic systems
    Xie, Rui-Hua
    Heaven, Michael C.
    JOURNAL OF CHEMICAL PHYSICS, 2006, 125 (10):
  • [19] An analytical potential function of stable diatomic molecules
    Rafi, M
    Fayyazuddin
    Mubarek, OH
    Al-Hadhood, I
    ASIAN JOURNAL OF SPECTROSCOPY, 1998, 2 (04): : 159 - 164
  • [20] POTENTIAL-ENERGY FUNCTION FOR DIATOMIC MOLECULES
    KATTI, MR
    BATRA, DP
    JOURNAL OF CHEMICAL PHYSICS, 1963, 38 (03): : 774 - &