Electron correlation effects in small iron clusters
نویسندگان
چکیده
منابع مشابه
Electron correlation effects in small iron clusters
We present results of first-principles calculations of structural, magnetic, and electronic properties of small Fe clusters. It is shown that, while the lowest-energy isomers of Fe3 and Fe4 obtained in the framework of density functional theory within the generalized gradient approximation (GGA) are characterized by Jahn-Teller-like distortions away from the most regular shapes (which is in agr...
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ژورنال
عنوان ژورنال: Computing Letters
سال: 2004
ISSN: 1574-0404
DOI: 10.1163/157404005776611484