首页> 外文期刊>journal of chemical physics >Configuration interaction calculations for twohyphen;electron atoms in a spherical box
【24h】

Configuration interaction calculations for twohyphen;electron atoms in a spherical box

机译:Configuration interaction calculations for twohyphen;electron atoms in a spherical box

获取原文
           

摘要

We report calculations of the ground state (1S) correlation energy for the two electron systems He, Li+, and Be2+when they are compressed in a spherical box with infinite potential barriers. The calculations were performed using a 41 term configuration interaction expansion generated by a 6s4p4dorbital basis. It is found that although there is an increase in the correlation energy when the sphere radius becomes smaller, this increase is extremely small with respect to the change in total energy. This fact is discussed within the context of thezminus;1expansion for the energy. We also discuss the similarity between the compression process induced on an atom by increasing its nuclear charge and by the process employed in this work.

著录项

获取原文

客服邮箱:kefu@zhangqiaokeyan.com

京公网安备:11010802029741号 ICP备案号:京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有
  • 客服微信

  • 服务号