首页 | 本学科首页   官方微博 | 高级检索  
     


A calculation of the well depth for a pair of helium atoms
Authors:Peter D. Dacre
Affiliation:Department of Chemistry, University of Sheffield, Sheffield S3 7HF, UK
Abstract:A new methods is proposed for the elimination of the basis superposition error in the calculation of small potentials. The method which involves CI is applied to the calculation of the well depth of He2. It includes interatomic and intraatomic correlation effects simultaneously. A value for the well depth of 10.54 K at R = 3.03 au is obtained, in excellent agreement with current theoretical estimates.
Keywords:
本文献已被 ScienceDirect 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