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


Monte-Carlo optimization of correlated helium wave function
Authors:Sabyasachi Kar  Puspajit Mandal
Institution:(1) Department of Mathematics, Visva-Bharati University, 731 235 Santiniketan, India
Abstract:A new type of correlated wave function for the normal helium is proposed in the form:ψ(r1, r2)=Σc mφm withφ m=exp]−α(r 1+r 2)]/(br 12+a) m wherea, b, α are non-linear variational parameters. Optimizing these parameters by the Monte-Carlo technique, an energy eigen-value of −2.903645(a.u.) is obtained withonly three terms in the basis expansion alongwith satisfactory cusp condition, compared to the essentially exact non-relativistic value of −2.903724 as given by Freundet al (Phys. Rev. A29, 980 (1984)).
Keywords:Eigenenergy  normal state  Virial theorem  Monte-Carlo optimization
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