Improved nonadiabatic ground-state energy upper bound for dihydrogen

被引：90

作者：

Kinghorn, DB ^{[1
]}

Adamowicz, L ^{[1
]}

机构：

[1] Univ Arizona, Dept Chem, Tucson, AZ 85721 USA

来源：

PHYSICAL REVIEW LETTERS | 1999年 / 83卷 / 13期

关键词：

D O I：

10.1103/PhysRevLett.83.2541

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

A new, highly accurate, value for the nonadiabatic energy of the dihydrogen ground state is reported, (-1.164 025 023 2 hartree). The calculations were performed with a direct nonadiabatic variational approach using a new correlated Gaussian basis set including powers of the internuclear distance.

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页码：2541 / 2543

页数：3

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