Benchmarking nonequilibrium Green’s functions against configuration interaction for time-dependent Auger decay processes

  title={Benchmarking nonequilibrium Green’s functions against configuration interaction for time-dependent Auger decay processes},
  author={Fabio Covito and Enrico Perfetto and {\'A}ngel Rubio and Gianluca Stefanucci},
  journal={The European Physical Journal B},
Abstract We have recently proposed a nonequilibrium Green’s function (NEGF) approach to include Auger decay processes in the ultrafast charge dynamics of photoionized molecules. Within the so-called generalized Kadanoff–Baym ansatz the fundamental unknowns of the NEGF equations are the reduced one-particle density matrix of bound electrons and the occupations of the continuum states. Both unknowns are one-time functions like the density in time-dependent functional theory (TDDFT). In this work… 

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