Published February 2014 | Version v1
Journal article

Variational studies of potential energy function for the electronic state A2Ⅱ of AlH+

  • 1. Department of Physics and Electronic Engineering, Mianyang Normal University (China)
  • 2. Institute of Computational Physics, Mianyang Normal University (China)

Description

The energy-consistent method for diatomic molecular ion XY+(ECMI) and relative analytical ECMI potential energy function are used to study the potential energy behavior of exited state A2Ⅱ of AIH+ ion. The comparison, bring ECMI data with RKR data, theoretical MCSCF results, analytical Morse potential and Huxley-Murrell-Sorbie (HMS) potential which are neutral molecular potential energy functions, show that ECMI approach and the ECMI potential are suitable to the studies of the potential energy behavior of exited state A2Ⅱ of AlH+ ion, The ECMI potential is agreement with experimental RKR data, and is superior to the Morse potential, HMS potential and the theoretical MCSCF results, specially, in the important asymptotic and dissociation regions. The correct potential energy data in total region area very important for the studies of scatting problems. (authors)

Additional details

Publishing Information

Journal Title
Journal of Atomic and Molecular Physics
Journal Volume
31
Journal Issue
1
Journal Page Range
p. 21-25
ISSN
1000-0364

Optional Information

Notes
1 figs., 1 tabs., 22 refs.