✦ LIBER ✦

Improved correlation energy functional

✍ Scribed by Antonios G. Koures; Frank E. Harris

Book ID: 101252945
Publisher: John Wiley and Sons
Year: 1996
Tongue: English
Weight: 326 KB
Volume: 59
Category: Article
ISSN: 0020-7608
DOI: 10.1002/(sici)1097-461x(1996)59:1<3::aid-qua1>3.0.co;2-1

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✦ Synopsis

Irregularities in the connection of the high-and low-density forms of the Perdew-Zunger correlation energy functional lead to computational difficulties that are removed by a new parametrization. These parametrizations and a number of other correlation functionals are compared and discussed.

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