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
Pages
10
From page
151
To page
160
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
Serial Year
1997
Journal title
Chemical Physics Letters
Record number
1781792
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