Theoretical study on magnetic structures of noncollinear magnets

被引：0
|
作者：
Yoshinaga, A
Yoshimoto, T
Kawabe, H
Nagao, H [1 ]
Yamaguchi, K
Nishikawa, K
机构：
[1] Kanazawa Univ, Fac Sci, Dept Computat Sci, Kanazawa, Ishikawa 9201192, Japan
[2] Kinjo Univ, Fac Social Work, Dept Social Work, Matto, Ishikawa 9248511, Japan
[3] Osaka Univ, Grad Sch Sci, Dept Chem, Toyonaka, Osaka 5600043, Japan
来源：
SYNTHETIC METALS | 2001年 / 121卷 / 1-3期
关键词：
ab initio quantum chemical methods and calculations; density functional calculations;
D O I：
10.1016/S0379-6779(00)00785-2
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
The valence energy of Ru2O and Ru-2 is calculated for several spin multiplicity by the Hartree-Fock theory and the density functional theory. The noncollinear spin structure is also calculated for the H, molecule at the equilateral triangle by the variational Monte Carlo method using the general spin orbital.
引用
收藏
页码：1786 / 1787
页数：2
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