Title of article
Model potential nonlocal density functional calculations of small cobalt clusters, Con,n⩽5
Author/Authors
Pereiro، نويسنده , , M and Manʹkovsky، نويسنده , , S and Baldomir، نويسنده , , D and Iglesias، نويسنده , , M and Mlynarski، نويسنده , , P and Valladares، نويسنده , , M and Suarez، نويسنده , , D and Castro، نويسنده , , M and Arias، نويسنده , , Juan E، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2001
Pages
5
From page
118
To page
122
Abstract
The results of self-consistent nonlocal generalized gradient approximation (GGA) density functional calculations are reported for small cobalt clusters Con (2⩽n⩽5). An emphasis is made on a proper treatment of exchange and correlation effects. The enhancement of the magnetic moments as well as the bonding properties of these clusters are discussed in terms of the cluster size and symmetry. We compare some results from deMon–KS (D) module release 3.2 and the computational scheme of Sambe–Felton and Dunlap (SFD).
Journal title
Computational Materials Science
Serial Year
2001
Journal title
Computational Materials Science
Record number
1679146
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