Using the electron localization function to correct for confinement physics in semi-local density functional theory
نویسندگان
چکیده
منابع مشابه
Using the electron localization function to correct for confinement physics in semi-local density functional theory.
We have previously proposed that further improved functionals for density functional theory can be constructed based on the Armiento-Mattsson subsystem functional scheme if, in addition to the uniform electron gas and surface models used in the Armiento-Mattsson 2005 functional, a model for the strongly confined electron gas is also added. However, of central importance for this scheme is an in...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2014
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.4871738