安顺学院学报2011，Vol.13Issue(4)：128-131,4.
BF在外电场作用下的分子特性
Study on the Moleculal Properties of BF in the External Electric Field
摘要
Abstract
In this paper,the geometric structure of ground state of BF molecular is o methods, then the ground states of BF molecule under electric fields ranging from --0.0 using the density functional theory DFT/B3LYP at （3df,2pd） level,And research the 1 on the bond length, system energy, charge distribution, Frequencies Dipole moment, came to the conclusion that the impact of asymmetry under external electric field on the of BF molecules. ptimizated by many 3 to ＋0.02a, u. are aw of electric fields and energy levels, electronic structure关键词
BF/外电场/基态/激发Key words
BF/external electric field/the ground state/excitation引用本文复制引用
曾凡金,徐梅,骆远征,令狐荣锋..BF在外电场作用下的分子特性[J].安顺学院学报,2011,13(4):128-131,4.基金项目
贵州省科学技术基金 （）
贵州省高层次人才科研条件特助项目 （）
安顺学院校级青年 （）
