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

作　　者：于长丰 阎坤 刘代志 

机构地区：[1]School of Science,Xi'an Polytechnic University [2]Xi'an Modern Nonlinear Science Applying Institute [3]Section 602,Second Artillery Institute of Engineering

出　　处：《Journal of Pharmaceutical Analysis》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)

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.

关 键 词：universal potential energy function force constant spectroscopic parameter 

分 类 号：O641.1[理学—物理化学]