原子与分子物理学报2009，Vol.26Issue(5)：798-802,5.DOI:10.3969/j.issn.1000-0364.2009.05.006
用能量自洽法研究部分卤化钙分子CaX (X=Br,Cl,F)的解析势能函数
Studies on the potential energy curves of halogenate calcium molecules CaX (X=Br,Cl,F) in ground and low excited states using energy consistent method
摘要
Abstract
The analytical potential energy functions of the X~2∑~+、A~2∏ and B~2∑~+ states of the halogenate calcium molecules CaX (X=Br,Cl,F) are studied using the energy consistent method (ECM).Though comparing from Rydberg-Klein-Rees (RKR) data,Morse potential and the Huxley-Murrell-Sorbie (HMS) potential,the ECM potentials are agreement with the RKR data and is superior to Morse potential and HMS potential in full correct potential region.The ECM potentials correctly describe the full potential energy behaviors for the states,special in the important asymptotic and dissociation area,where the experimental date or accurate theoretical results may be absence.关键词
卤化钙分子/势能函数/能量自洽法(ECM)/基态和低激发态Key words
halogenate calcium molecules/potential energy function/energy consistent method (ECM)/ground snad low excited states分类
数理科学引用本文复制引用
刘国跃,韩彩霞..用能量自洽法研究部分卤化钙分子CaX (X=Br,Cl,F)的解析势能函数[J].原子与分子物理学报,2009,26(5):798-802,5.基金项目
四川省教育厅自然科重点项目(08ZA164) （08ZA164）
