• DocumentCode
    3230917
  • Title

    A universal analytic potential function applied to diatomic molecules

  • Author

    Changfeng, Yu ; Zhiwei, Wang

  • Author_Institution
    Dept. of Phys., Xi´´an Polytech. Univ., Xi´´an, China
  • fYear
    2011
  • fDate
    27-29 May 2011
  • Firstpage
    105
  • Lastpage
    110
  • Abstract
    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 Σg+), homonuclear charged diatomic molecular ion, He2+(X2 Σu+) heternuclear neutral diatomic Molecule AlBr(A1Π) and heternuclear charged diatomic Molecular ion BC-(X3Π), as a consequence, good results are obtained.
  • Keywords
    aluminium compounds; boron compounds; helium ions; hydrogen neutral molecules; molecular force constants; negative ions; positive ions; potential energy functions; AlBr; BC-; H2; He2+; analytical potential energy functions; dimensionless undetermined parameters; extensive universality; heteronuclear charged diatomic molecular ion; heteronuclear neutral diatomic molecule; homonuclear charged diatomic molecular ion; homonuclear neutral diatomic molecule; linear equations; spectroscopic parameters; universal analytic potential function; Helium; Irrigation; diatomic molecules and ions; force constants; phase factor; potential energy function; spectroscopic parameters;
  • fLanguage
    English
  • Publisher
    ieee
  • Conference_Titel
    Communication Software and Networks (ICCSN), 2011 IEEE 3rd International Conference on
  • Conference_Location
    Xi´an
  • Print_ISBN
    978-1-61284-485-5
  • Type

    conf

  • DOI
    10.1109/ICCSN.2011.6014229
  • Filename
    6014229