Combining linear interpolation with extrapolation methods in range-separated ensemble density functional theory
نویسندگان
چکیده
منابع مشابه
Tuned range-separated hybrids in density functional theory.
We review density functional theory (DFT) within the Kohn-Sham (KS) and the generalized KS (GKS) frameworks from a theoretical perspective for both time-independent and time-dependent problems. We focus on the use of range-separated hybrids within a GKS approach as a practical remedy for dealing with the deleterious long-range self-repulsion plaguing many approximate implementations of DFT. Thi...
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ژورنال
عنوان ژورنال: Molecular Physics
سال: 2015
ISSN: 0026-8976,1362-3028
DOI: 10.1080/00268976.2015.1119902