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

Nils Erik Dahlen·Robert van Leeuwen
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Abstract

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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Nils Erik Dahlen, Robert van Leeuwen. 2007-03-15. Solving the Kadanoff-Baym equations for inhomogenous systems: Application to atoms and molecules. https://arxiv.org/abs/cond-mat/0703411

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