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Xavier Andrade edited XC Functionals.tex
over 9 years ago
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the performance of xc functionals whose potential has a correct
asymptotic behavior~\cite{Oliveira_2010} when calculating ionization
potentials and static polarizabilities of atoms, molecules, and
hydrogen chains.
In this vein, Andrade and Aspuru-Guzik~\cite{Andrade_2011} proposed a new method where the xc potential is considered as an electrostatic potential generated by a fictitious charge. In terms of this charge, the asymptotic condition is given as a simple condition.