Nonrelativistic variational calculations of the positronium molecule and the positronium hydride

被引:41
|
作者
Bubin, Sergiy [1 ]
Adamowicz, Ludwik
机构
[1] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA
[2] Univ Arizona, Dept Phys, Tucson, AZ 85721 USA
来源
PHYSICAL REVIEW A | 2006年 / 74卷 / 05期
关键词
D O I
10.1103/PhysRevA.74.052502
中图分类号
O43 [光学];
学科分类号
070207 ; 0803 ;
摘要
Highly accurate ground-state nonrelativistic variational calculations of Ps(2), (1)HPs, and (infinity)HPs are reported. The calculations have been performed using 5000 explicitly correlated Gaussian basis functions and yielded the lowest variational energy upper bounds for these systems to date. The relative accuracies of the energies obtained are of the order of 4x10(-10) a.u. for Ps(2) and 2x10(-9) a.u. for HP. Several expectation values have also been computed for each system, as well as electron-positron annihilation rates.
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页数:5
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