Analytical potential energy functions for the ground and some excited states of N2 |
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| Authors: | Zhixiang Fan Yanping Nie Weiguo Sun Yi Zhang Li Yuan |
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| Affiliation: | 1. School of Physics and Chemistry, Research Center for Advanced Computation, Xihua University, Sichuan, China;2. School of Science, Changchun University of Science and Technology, Changchun, China;3. Institute of Atomic and Molecular Physics, Sichuan University, Chengdu, China;4. School of Physics, Sichuan University, Chengdu, China |
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| Abstract: | The analytical potential energy functions have been calculated for the ground state X1Σ+g and four excited electronic states a1Πg, A3Σ+u, B′3Σ?u and B3Πg of N2 molecule using the algebraic and energy-consistent methods (AM-ECM). Based on our previously published full AM vibrational energies and spectroscopic constants, the low-lying force constants fn, the expansion coefficients an and the variational parameters λ in the AM–ECM potentials are determined for these states. The computed AM–ECM potential energy curve of each state is in excellent agreement with the experimental data and better than other analytical potentials. |
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| Keywords: | potential energy curve electronic states energy consistent method algebraic method N2 |
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