首页> 外文期刊>journal of chemical physics >A correlated one parameter momentum space function for the ground state of helium
【24h】

A correlated one parameter momentum space function for the ground state of helium

机译:A correlated one parameter momentum space function for the ground state of helium

获取原文
           

摘要

The integral equation for the ground state of the helium atom is iterated to produce a correlated one parameter wave function in momentum space. This new function has second order poles atizgr; and a first order pole at 2izgr;, where zgr; is retained as a variational parameter. The function may be written fgr;(p1p2)=sqrt;2/13thinsp;lsqb;(2zgr;)4/pgr;rsqb;thinsp;lsqb;1/(p1minus;izgr;)2(p2minus;izgr;)2(p1+p2minus;2izgr;)rsqb; with resulting energy expressed asE=(14/13)thinsp;zgr;2+(32/13)thinsp;lsqb;(619/48) minus;20thinsp;lnthinsp;2rsqb;thinsp;zgr;+(16/13)zgr;. Optimizing gives zgr;=1.6391 andE=minus;2.8933 a.u. within 0.0104 a.u. of the exact energy.

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