首页 | 本学科首页   官方微博 | 高级检索  
     


Ab initio potential curves for the lowest 1Σ+ and 3Π states of the ion CN+
Authors:David M. Hirst
Affiliation:Department of Chemistry and Moleular Sciences, University of Warwick, Coventry CV4 7AL, UK
Abstract:Ab initio configuration-interaction calculations using a 9s5p|3s2p gaussian basis supplemented with polarization functions are presented for potential curves for the a 1Σ+ and the lowest 3Π state of CN+. The two states are very close in energy and calculations at this level do not give an unequivocal indication of the identity of the ground state.
Keywords:
本文献已被 ScienceDirect 等数据库收录!
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号