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On the performance of DFT methods on electric polarizability and hyperpolarizability calculations for the lithium tetramer

In: Computing Letters
Authors:
George Maroulis Department of Chemistry University of Patras GR-26500 Patras Greece

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Demetrios Xenides Department of Computer Science and Technology University of the Peloponnese GR-22100 Tripolis Greece

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Online Publication Date:
06 Mar 2005
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We present a rigorous analysis of the performance of a set of twelve DFT methods on the calculation of the static electric polarizability and hyperpolarizability of the lithium tetramer. Our analysis reveals essential similarities and dissimilarities in the performance of these methods.

Title:
On the performance of DFT methods on electric polarizability and hyperpolarizability calculations for the lithium tetramer
Article Type:
Research Article
DOI:
https://doi.org/10.1163/157404005776611510
Language:
English
Pages:
246–252
Keywords:
Lithium tetramer; electric (hyper)polarizability; Density Functional Theory methods
In:
Computing Letters
In:
Volume 1: Issue 4
Received:
10 Nov 2005
Accepted:
25 Nov 2005
Publisher:
VSP
E-ISSN:
1574-0404
Subjects:
Mathematics & Computer Sciences, Biology

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