首页 | 本学科首页   官方微博 | 高级检索  
     


Geometries and electronic structures of negatively charged carbon clusters
Authors:A. K. Ray  B. K. Rao
Affiliation:1. Department of Physics, University of Texas, 76019, Arlington, TX, USA
2. Department of Physics, Virginia Commonwealth University, 23284-2000, Richmond, VA, USA
Abstract:Self-consistent field molecular orbital calculations have been performed on neutral and negatively charged clusters of carbon atoms using an extended basis set designed to obtain correct electron affinity. Correlation effects have been included perturbatively up to second order. The optimized geometries of theC n ? (n ≤ 7) anions are all linear chains as observed in experiments. The calculated electron affinities are comparable with experimental data. Studies of the stabilities of doubly charged anions show that clusters uptoC 7 ?? are unstable.
Keywords:
本文献已被 SpringerLink 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