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A test for the Wilson—Levy correlation energy functional

✍ Scribed by P. Fuentealba; Andreas Savin

Book ID
103032827
Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
367 KB
Volume
217
Category
Article
ISSN
0009-2614

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✦ Synopsis

The accuracy of the recently developed correlation energy functional of Wilson and Levy is investigated. The correlation contributions to first ionization potentials of first-row atoms, hydrides and dimers, as well as the contributions to the dissociation energies of neutral and ionic hydrides and dimers are calculated and compared with experimental values. It is found that the functional developed by Wilson and Levy represents a positive step in the way to improve the accuracy of density functional models.

' Contribution No. 12.

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A new Wigner-like correlation-energy fun
A new Wigner-like correlation-energy functional from coordinate scaling requirements
✍ Leslie C. Wilson; Stanislav Ivanov 📂 Article 📅 1998 🏛 John Wiley and Sons 🌐 English ⚖ 179 KB

To arrive at the very best approximations to the correlation energy in density functional theory, it is worthwhile to investigate the properties of the exact correlation-energy functional and to design functionals that obey as many constraints as possible. Examples of such requirements include unifo