Variational studies of potential energy function for the electronic state A2Ⅱ of AlH+
Creators
- 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
INIS
- Country of Publication
- China
- Country of Input or Organization
- China
- INIS RN
- 46127428
- Subject category
- S74: ATOMIC AND MOLECULAR PHYSICS;
- Descriptors DEI
- ALUMINIUM HYDRIDES; ASYMPTOTIC SOLUTIONS; COMPARATIVE EVALUATIONS; DISSOCIATION; FUNCTIONS; MOLECULAR IONS; MORSE POTENTIAL; POTENTIAL ENERGY; VARIATIONAL METHODS
- Descriptors DEC
- ALUMINIUM COMPOUNDS; CALCULATION METHODS; CHARGED PARTICLES; ENERGY; EVALUATION; HYDRIDES; HYDROGEN COMPOUNDS; IONS; MATHEMATICAL SOLUTIONS; POTENTIALS
Optional Information
- Notes
- 1 figs., 1 tabs., 22 refs.