Journal
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
Volume 35, Issue 4, Pages 1115-1128Publisher
IOP PUBLISHING LTD
DOI: 10.1088/0953-4075/35/4/333
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We present a simple density-averaged approach to the self-interaction-correction (SIC) methods of density functional theory. We discuss both formal properties and applications, considering particularly metal clusters as test cases. We show that the density averaged ansatz exhibits crucial, original (as compared to other SIC schemes) properties such as unitary robustness and applicability to semi-classical approaches. It is ideally suited to systems with well defined length and energy scales such as simple metal clusters.
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