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A universal potential energy function and precise calculations on the molecular spectra

A universal potential energy function and precise calculations on the molecular spectra
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摘要 By using a function with a phase factor,a universal analytic potential energy function applied to the interactions between diatoms or molecules is derived and six kinds of potential curves of common shapes are obtained by adjusting the phase factor.The spectroscopic parameters of ten diatomic molecules are calculated by using the potential energy function;as a consequence,all calculation results are in good agreement with experimental data. By using a function with a phase factor,a universal analytic potential energy function applied to the interactions between diatoms or molecules is derived and six kinds of potential curves of common shapes are obtained by adjusting the phase factor.The spectroscopic parameters of ten diatomic molecules are calculated by using the potential energy function;as a consequence,all calculation results are in good agreement with experimental data.
出处 《Journal of Pharmaceutical Analysis》 SCIE CAS 2008年第1期61-65,共5页 药物分析学报(英文版)
基金 This work was supported by the National Natural Science Foundation of China(No.40274044)
关键词 universal potential energy function force constant spectroscopic parameter universal potential energy function force constant spectroscopic parameter
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