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


A note on the convergence of multiconfigurational many-body perturbation theory
Authors:Naoto Iijima  A Saika
Abstract:The convergence of multiconfigurational many-body perturbation theory (MC MBPT ) is discussed in connection with the intruder state. Its convergence properties are first examined with a fictitious three-level system employing a Hermitian version of MC MBPT , which permits a general model space. It is then applied to the H2—H2 and N2 systems. The results suggest that a more extensive model space is likely to embrace new intruder states and the space extension be executed with due caution.
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