CONFIGURATION-INTERACTION AND HYLLERAAS CONFIGURATION-INTERACTION METHODS IN VALENCE-BOND THEORY - CALCULATION OF THE NUCLEAR SHIELDING CONSTANT FOR THE GROUND-STATE OF THE HYDROGEN MOLECULE

被引：10

作者：

KOMASA, J

CENCEK, W

RYCHLEWSKI, J

机构：

[1] Department of Chemistry, A. Mickiewicz University, 60-780 Poznań

来源：

PHYSICAL REVIEW A | 1992年 / 46卷 / 05期

关键词：

D O I：

10.1103/PhysRevA.46.2351

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Values of the magnetic shielding constant in the ground state of the hydrogen molecule are calculated using explicitly correlated Gaussian functions. The total shielding at equilibrium amounts to 26.73 ppm.

引用

页码：2351 / 2355

页数：5

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