西华大学学报（自然科学版）2017，Vol.36Issue(3)：91-95,5.DOI:10.3969/j.issn.1673-159X.2017.03.016
用变分代数能量自洽法研究NaH和CsH电子基态的解析势能函数
Analytical Potential Energy Functions of NaH and CsH Electronic Ground State Using Variational Algebraic Energy Consistent Method
摘要
Abstract
The full vibrational energies of NaH and CsH molecule electronic ground states are calculated by using the variational algebraic method (VAM) established in our previous work.And then,accurate analytical potential energy function is determined by the variational algebraic energy consistent method (VAECM) with an adjustable parameter λ for each electronic state.The potential energy curves not only repeated known experimental vibrational energies well in low vibrational excited states,but also had a correct physical behavior in the region of the dissociation area,and correctly converged to the experimental dissociation energy.The results show that the VAECM analytic potential energy function is better than the research results of other methods for each electronic state in this work.关键词
NaH/CsH/振动能谱/解析势能函数/变分代数能量自洽法Key words
NaH/CsH/vibrational energy/analytical potential energy function/variational algebraic energy consistent method分类
数理科学引用本文复制引用
詹杰,樊群超,付佳,范志祥,张春国..用变分代数能量自洽法研究NaH和CsH电子基态的解析势能函数[J].西华大学学报（自然科学版）,2017,36(3):91-95,5.基金项目
西华大学重点科研基金(Z1513323) （Z1513323）
西华大学2016年度“西华杯”大学生创新创业项目(LXY2016001) （LXY2016001）
研究生创新基金(ycjj2016101). （ycjj2016101）
