Few-body reference data for multicomponent formalisms: Light-nuclei molecules

被引：12
|
作者：
Kylanpaa, Ilkka [1 ]
Rantala, Tapio T. [2 ]
Ceperley, David M. [1 ]
机构：
[1] Univ Illinois, Dept Phys, Urbana, IL 61801 USA
[2] Tampere Univ Technol, Dept Phys, FI-33101 Tampere, Finland
来源：
PHYSICAL REVIEW A | 2012年 / 86卷 / 05期
关键词：
INTEGRAL MONTE-CARLO; ELECTRON-GAS; PATH; STATE;
D O I：
10.1103/PhysRevA.86.052506
中图分类号：
O43 [光学];
学科分类号：
070207 ; 0803 ;
摘要：
We present full quantum statistical energetics of some electron-light-nuclei systems. This is accomplished with the path-integral Monte Carlo method. The effects on energetics arising from the change in the nuclear mass are studied. The obtained results may serve as reference data for the multicomponent density functional theory calculations of light-nuclei systems. In addition, the results reported here will enable better fitting of today's electron-nuclear energy functionals, for which the description of light nuclei is most challenging in particular.
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页数：6
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