Diffusion quantum Monte Carlo calculation of the binding energy of positronium hydroxide

被引：23

作者：

Yoshida, T ^{[1
]}

Miyako, G ^{[1
]}

Jiang, N ^{[1
]}

Schrader, DM ^{[1
]}

机构：

[1] MARQUETTE UNIV, DEPT CHEM, MILWAUKEE, WI 53201 USA

来源：

PHYSICAL REVIEW A | 1996年 / 54卷 / 01期

关键词：

D O I：

10.1103/PhysRevA.54.964

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Using the diffusion quantum Monte Carlo method, the binding energy of positronium hydroxide (alternatively, the positronium affinity of the hydroxyl radical) has been calculated at a new level of accuracy and found to be 0.63+/-0.15 eV. Using the same methods, we also calculate the electron affinity of the hydroxyl radical to be 1.86+/-0.14 eV, which is in agreement with the experimental value. To the authors' knowledge, this is the only calculation of these quantities for which this essential consistency is demonstrated.

引用

页码：964 / 966

页数：3

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