Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.

JP, Perdew; A, Ruzsinszky; J, Tao; VN, Staroverov; GE, Scuseria; GI, Csonka

doi:10.1063/1.1904565

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Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.

Shared by NobleBlocks on Aug 1, 2005 • 12:00 AM UTC

Authors:

Perdew JP

Ruzsinszky A

Tao J

Abstract

We present the case for the nonempirical construction of density functional approximations for the exchange-correlation energy by the traditional method of "constraint satisfaction" without fitting to data sets, and present evidence that this approach has been successful on the first three rungs of ...

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