Ab initio Calculations of Electron-Impact Excitation Cross Sections for N_2 Molecule  

作　　者：信裕 丁洪斌 

机构地区：[1]School of Physics and Optical Engineering,Key Laboratory of Materials Modification byLaser,Ion and Electron Beams,Ministry of Education,Dalian University of Technology

出　　处：《Plasma Science and Technology》2014年第2期104-109,共6页等离子体科学和技术（英文版）

基　　金：supported by National Natural Science Foundation of China(Nos.11175035,10875023);the National Magnetic Confinement Fusion Science Program of China(No.2013GB109005);Chinesisch-Deutsches Forschungsprojekt(GZ768);the Fundamental Research Fundsfor the Central Universities of China(No.DUT12ZD(G)01)

摘　　要：One of the great difficulties in understanding nitrogen plasma elementary processes is the lack of an available database of the cross-sections of electron-impact excitations and radiations. Ab initio calculations of vibrational excitation cross sections for electron collisions with nitrogen molecules in low-lying states using similarity function approach, such as a-a＇, a-w, B-B＇ and B-W transition systems, are reported here for the first time. In the meantime, the average excitation energies of neighboring levels of these systems have been calculated. In order to obtain the cross sections, accurate spectroscopic constants and transition dipole moments have been investigated. Potential energy curves and other electronic transition dipole moments for the low-lying states of N2 have been re-evaluated using complete active space self-consistent field （CASSCF） approach with aug-cc-pVqZ basis set. The calculated cross-sections could provide a database for studying the elementary processes and the properties in N2 plasma.One of the great difficulties in understanding nitrogen plasma elementary processes is the lack of an available database of the cross-sections of electron-impact excitations and radiations. Ab initio calculations of vibrational excitation cross sections for electron collisions with nitrogen molecules in low-lying states using similarity function approach, such as a-a＇, a-w, B-B＇ and B-W transition systems, are reported here for the first time. In the meantime, the average excitation energies of neighboring levels of these systems have been calculated. In order to obtain the cross sections, accurate spectroscopic constants and transition dipole moments have been investigated. Potential energy curves and other electronic transition dipole moments for the low-lying states of N2 have been re-evaluated using complete active space self-consistent field （CASSCF） approach with aug-cc-pVqZ basis set. The calculated cross-sections could provide a database for studying the elementary processes and the properties in N2 plasma.

关 键 词：N2 potential energy curves transition dipole moments electron-impact exci- tation cross sections 

分 类 号：O53[理学—等离子体物理] O562[理学—物理]