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Studies on the analytical curves of diatomic molecules using algebraic and energy-consistent method

Yuan Li Fan Qun-Chao Sun Wei-Guo Fan Zhi-Xiang Feng Hao

Studies on the analytical curves of diatomic molecules using algebraic and energy-consistent method

Yuan Li, Fan Qun-Chao, Sun Wei-Guo, Fan Zhi-Xiang, Feng Hao
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  • Received Date:  30 October 2013
  • Accepted Date:  18 November 2013
  • Published Online:  05 February 2014

Studies on the analytical curves of diatomic molecules using algebraic and energy-consistent method

  • 1. Research Center for Advanced Computation, School of Physics and Chemistry, Xihua University, Chengdu 610039, China;
  • 2. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu 610065, China
Fund Project:  Project supported by the National Natural Science Foundation of China (Grant Nos. 11204244, 11074204), the Young Scientists Foundation of the Department of Science and Technology of Sichuan Province, China (Grant No. 2012JQ0055), and the Student Academic Innovation Fund of ‘Xihua Cup’

Abstract: The analytical potential energy curves of stable diatomic electronic states are investigated based on the algebraic method (AM) and energy consistent method (ECM). The AM-ECM method is applied to 4 electronic states of 7Li2-23∑g+, KH-X1∑+, NaLi-X1∑+ and NaLi-A1∑+. The results show that the AM-ECM potentials are superior to some other analytical potentials, and can generate accurate analytical potential expressions of these electronic states in the molecular asymptotic and dissociation region.

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