Title of article
Adiabatic connections and properties of coupling-integrated exchange–correlation holes and pair densities in density functional theory
Author/Authors
Pistol، نويسنده , , M.-E. and Almbladh، نويسنده , , C.-O.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2009
Pages
4
From page
136
To page
139
Abstract
We demonstrate a method that likely will improve the accuracy of functionals used in density functional theory and pair density functional theory. In deriving the method we show that the coupling-integrated exchange–correlation hole used in density functional theory obeys all the N-representability conditions as non-integrated holes and we give two such conditions, not normally used by the density functional theory community. We will also show that in addition to the normal adiabatic connection there exist a dual adiabatic connection where the kinetic energy is integrated over the inverse electron mass.
Journal title
Chemical Physics Letters
Serial Year
2009
Journal title
Chemical Physics Letters
Record number
1927573
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