Examination of Potential Energy Curves of CFCl by Multi-reference Configuration Interaction Method

作     者：孙二平 刘启鑫 任廷琦 单石敏 徐海峰 闫冰 

作者机构：College of Electronic Communication and Physics Shandong University of Science and Technology Qingdao 266590 Institute of Atomic and Molecular Physics Jilin University Changchun 130012 

出 版 物：《Chinese Physics Letters》 (中国物理快报（英文版）)

年 卷 期：2015年第32卷第12期

页      面：43-46页

核心收录：

学科分类：07[理学] 070203[理学-原子与分子物理] 0702[理学-物理学] 

基　　金：Supported by the National Natural Science Foundation of China under Grant No 11447148 

主　　题：Examination of Potential Energy Curves of CFCl by Multi-reference Configuration Interaction Method Cl length CFC 

摘      要：We give a detailed examination of potential energy curves of the singlet and triplet states of CFC1 correlated with the lowest three dissociation limits. The calculations are carried out at the internally contracted multi- reference configuration interaction/cc-pV（T＋d）Z level with the other two geometric parameters fixed at the state equilibrium conformation. The vertical transition energy, the oscillator strength, the main configuration and the electron transition are also investigated at the same level.