Solving the Kadanoff-Baym equations for inhomogenous systems: Application to atoms and molecules

Details Solving the Kadanoff-Baym equations for inhomogenous systems: Application to atoms and molecules Solving the Kadanoff-Baym equations for inhomogenous systems: Application to atoms and molecules

2007-03-15

arxiv.org/abs/cond-mat/0703411v1

Physics

Condensed Matter

Materials Science

4 pages, 5 figures

Scientific paper

We have implemented time-propagation of the non-equilibrium Green function for atoms and molecules, by solving the Kadanoff-Baym equations within a conserving self-energy approximation. We here demonstrate the usefulnes of time-propagation for calculating spectral functions and for describing the correlated electron dynamics in a non-perturbative electric field. We also demonstrate the use of time-propagation as a method for calculating charge-neutral excitation energies, equivalent to highly advanced solutions of the Bethe-Salpeter equation.

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