Title of article :
Combining long-range configuration interaction with short-range density functionals
Author/Authors :
Leininger، نويسنده , , Thierry and Stoll، نويسنده , , Hermann and Werner، نويسنده , , Hans-Joachim and Savin، نويسنده , , Andreas، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 1997
Abstract :
A density functional for short-range electron-electron interaction recently developed by one of us, has been implemented into a multi-reference configuration-interaction code with explicit treatment of long-range interaction only. Possible advantages of such an approach are discussed, using as examples some closed-shell atoms (Be, Ne) and diatomics (H2, Li2, C2, N2, F2).
Journal title :
Chemical Physics Letters
Journal title :
Chemical Physics Letters