Solving the Kadanoff-Baym equations for inhomogenous systems: Application to atoms and molecules
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.
- Publication:
-
arXiv e-prints
- Pub Date:
- March 2007
- DOI:
- 10.48550/arXiv.cond-mat/0703411
- arXiv:
- arXiv:cond-mat/0703411
- Bibcode:
- 2007cond.mat..3411D
- Keywords:
-
- Condensed Matter - Materials Science;
- Condensed Matter - Strongly Correlated Electrons
- E-Print:
- 4 pages, 5 figures