Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection
نویسندگان
چکیده
منابع مشابه
Exchange–Correlation Functionals via Local Interpolation along the Adiabatic Connection
The construction of density-functional approximations is explored by modeling the adiabatic connection locally, using energy densities defined in terms of the electrostatic potential of the exchange-correlation hole. These local models are more amenable to the construction of size-consistent approximations than their global counterparts. In this work we use accurate input local ingredients to a...
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ژورنال
عنوان ژورنال: Journal of Chemical Theory and Computation
سال: 2016
ISSN: 1549-9618,1549-9626
DOI: 10.1021/acs.jctc.6b00177