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
Link To Document :
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