Title of article :
Relationship between the effective potentials determining the density and the pair density
Author/Authors :
Nagy، نويسنده , , ء.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2013
Pages :
4
From page :
97
To page :
100
Abstract :
A link between density and pair density functional theories is presented. The method of Levy, Perdew and Sahni is used to derive a relationship between the effective potentials of the Euler equation of the density functional theory and the Pauli potential of the pair density functional theory and between the effective potential for the spherically and system-averaged pair density and the Pauli potential of the pair density functional theory. These expressions can be considered constraints that the Pauli potential and the effective potentials should fulfil. They might be very useful in constructing approximations.
Keywords :
Density functional theory , Pair density functional theory , Spherically and system-averaged pair density , Pauli potential
Journal title :
Computational and Theoretical Chemistry
Serial Year :
2013
Journal title :
Computational and Theoretical Chemistry
Record number :
2286035
Link To Document :
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