首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Open-shell coupled-cluster method: Electron affinities of Li and Na
Authors:Uzi Kaldor
Abstract:The open-shell coupled-cluster method and the diagrams needed for its implementation are described. The method is applied to the electron affinities of Li and Na, which are calculated in two ways: as the ionization potential of the anions or as the energy of adding the second electron to the cations. The two schemes give essentially the same results, in very good agreement (<0.02 eV) with experiment. Three-body effects are negligible.
Keywords:
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