Many-body diagrammatic expansion in a Kohn-Sham basis: implications for Time-Dependent Density Functional Theory of excited states
Abstract
We formulate diagrammatic rules for many-body perturbation theory which uses Kohn-Sham (KS) Green's functions as basic propagators. The diagram technique allows to study the properties of the dynamic nonlocal exchange-correlation (xc) kernel fxc. We show that the spatial non-locality of fxc is strongly frequency-dependent. In particular, in extended systems the non-locality range diverges at the excitation energies. This divergency is related to the discontinuity of the xc potential.
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