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Response Potential in the Strong-Interaction Limit of Density Functional Theory: Analysis and Comparison with the
Sara Giarrusso1, Stefan Vuckovic1, Paola Gori-Giorgi1
1Department of Theoretical Chemistry and Amsterdam Center for Multiscale Modeling, FEW , Vrije Universiteit , De Boelelaan 1083 , 1081HV Amsterdam , The Netherlands.
Abstract:
Using the formalism of the conditional amplitude, we study the response part of the exchange-correlation potential in the strong-coupling limit of density functional theory, analyzing its peculiar features and comparing it with the response potential averaged over the coupling constant for small atoms and for the hydrogen molecule. We also use a simple one-dimensional model of a stretched heteronuclear molecule to derive exact properties of the response potential in the strong-coupling limit. The simplicity of the model allows us to unveil relevant features also of the exact Kohn-Sham potential and its different components, namely the appearance of a second peak in the correlation kinetic potential on the side of the most electronegative atom.
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