The density response kernel, the Fukui function, and other response functions from the Kohn–Sham orbitals
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DOI: 10.1007/s00214-019-2465-7
Abstract: AbstractA novel approach to the response theory for the Kohn–Sham formalism is presented, and it shows that the linear responses of the electron density to changes in the number of electrons and in the external… read more here.
Keywords: density response; response; kohn sham; density ... See more keywords